# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-17T06:56:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b c n' 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
"1000067","4.6664","0.0001","17.4435","0.0005","4.9941","0.0002","90","","90","","90","","406.5","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Lithium antimony(V) tungstate","","- Li O6 Sb W -","- Li O6 Sb W -","- Li4 O24 Sb4 W4 -","4","0.5","","Le Bail, A; Duroy, H; Fourquet, J L","Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction","Materials Research Bulletin","1988","23","","447","452","10.1016/0025-5408(88)90019-0","","","","","","0.0516","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000090","7.4059","0.0004","12.8771","0.0009","20.4282","0.0013","90","","90","","90","","1948.2","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Potassium pentafluoroferrate(III)","","- F5 Fe K2 -","- F5 Fe K2 -","- F80 Fe16 K32 -","16","2","","Le Bail, A; Desert, A; Fourquet, J L","Reinvestigation of the structure of K~2~FeF~5~","Journal of Solid State Chemistry","1990","84","","408","412","10.1016/0022-4596(90)90338-X","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000225","7.7947","0.0003","12.8133","0.0005","10.5244","0.0004","90","","90","","90","","1051.1","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium manganese ferrate hexafluoride - deuterated","","- D4 F6 Fe Mn N -","- D4 F6 Fe Mn N -","- D32 F48 Fe8 Mn8 N8 -","8","1","","Leblanc, M; Ferey, G; de Pape, R; Pannetier, J","Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.","Solid State Communications","1986","165","","169","369","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000235","10.491","0.004","8.09","0.003","7.997","0.003","90","","90","","90","","678.7","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diammonium pentafluoroaquoferrate(III)","","- F5 Fe H10 N2 O -","- F5 Fe H10 N2 O -","- F20 Fe4 H40 N8 O4 -","4","0.5","","Fourquet, J L; Plet, F; Calage, Y","Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O)","Journal of Solid State Chemistry","1988","74","","34","38","10.1016/0022-4596(88)90328-3","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000326","4.7496","0.0005","17.606","0.002","5.0617","0.0006","90","","90","","90","","423.3","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Tetralithium zinc diindium dodecafluoride","","- F12 In2 Li4 Zn -","- F12 In2 Li4 Zn -","- F24 In4 Li8 Zn2 -","2","0.25","","Maguer, J J; Courbion, G","A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~","Journal of Solid State Chemistry","1993","103","","466","471","10.1006/jssc.1993.1124","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000330","9.458","0.003","6.966","0.002","11.787","0.004","90","","90","","90","","776.6","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibarium yttrium dicarbonate trifluoride","","- C2 Ba2 F3 O6 Y -","- C2 Ba2 F3 O6 Y -","- C8 Ba8 F12 O24 Y4 -","4","0.5","","Mercier, N; Leblanc, M","Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)","European Journal of Solid State Inorganic Chemistry","1991","28","","727","735","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000331","9.513","0.001","6.978","0.001","11.864","0.004","90","","90","","90","","787.6","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibarium gadolinium dicarbonate trifluoride","","- C2 Ba2 F3 Gd O6 -","- C2 Ba2 F3 Gd O6 -","- C8 Ba8 F12 Gd4 O24 -","4","0.5","","Mercier, N; Leblanc, M","Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)","European Journal of Solid State Inorganic Chemistry","1991","28","","727","735","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000481","10.314","0.005","7.317","0.004","13.463","0.007","90","","90","","90","","1016","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium iron fluoride hydrate (1/1/5/1)","","- Ba F5 Fe H2 O -","- Ba F5 Fe H2 O -","- Ba8 F40 Fe8 H16 O8 -","8","1","","Fourquet, J L; Duroy, H","Crystal Structures of Ba Fe F5 * H2 O","European Journal of Solid State Inorganic Chemistry","1989","26","","413","418","","","","","","","0.0357","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001642","9.314","0.001","8.8679","0.0009","10.954","0.002","90","","90","","90","","904.8","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dipotassium dimolybdenum tetraoxide diphosphate - $-beta","","- K2 Mo2 O11 P2 -","- K2 Mo2 O11 P2 -","- K8 Mo8 O44 P8 -","4","0.5","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7","Journal of Solid State Chemistry","1995","114","","481","485","10.1006/jssc.1995.1072","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001835","5.893","0.003","7.469","0.002","12.07","0.002","90","","90","","90","","531.3","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","Calcium chloride dihydrate","Sinjarite","- Ca Cl2 H4 O2 -","- Ca Cl2 H4 O2 -","- Ca4 Cl8 H16 O8 -","4","0.5","","Leclaire, A.; Borel, M. M.","Le dichlorure de calcium dihydrate","Acta Crystallographica, Section B","1977","33","","1608","1610","10.1107/S0567740877006645","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006088","14.097","0.006","5.613","0.002","5.123","0.002","90","","90","","90","","405.4","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Copper diniobate","","- Cu Nb2 O6 -","- Cu Nb2 O6 -","- Cu4 Nb8 O24 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006089","14.187","0.005","5.73","0.002","5.031","0.002","90","","90","","90","","409","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Copper zinc diniobate (0.36/0.64/1)","","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu1.44 Nb8 O24 Zn2.56 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008066","4.888","","11.937","","5.11","","90","","90","","90","","298.2","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Uranium(VI) iron oxide","","- Fe O4 U -","- Fe O4 U -","- Fe4 O16 U4 -","4","0.5","","Bachmann, M; Bertaut, E F","Structure du nouveau compose U Fe O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","257","258","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008067","4.871","","11.787","","5.053","","90","","90","","90","","290.1","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Chromium uranium(V) oxide","","- Cr O4 U -","- Cr O4 U -","- Cr4 O16 U4 -","4","0.5","","Bacmann, M; Bertaut, E F","Structure de U Cr O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","275","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008069","4.871","","11.787","","5.053","","90","","90","","90","","290.1","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Chromium uranium(V) oxide","","- Cr O4 U -","- Cr O4 U -","- Cr4 O16 U4 -","4","0.5","","Bacmann, M; Bertaut, E F; Bassi, G","Parametres atomiques et structure magnetique de U Cr O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","214","218","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008356","14.2661","0.0002","5.7334","0.0001","5.0495","0.0001","90","","90","","90","","413","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Iron(II) diniobate","","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and Fe Nb~2~ O~6~","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0273","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008697","14.3574","0.0006","5.3247","0.0003","5.02","0.0002","90","","90","","90","","383.8","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Zirconium titanium oxide (5/7/24)","","- O24 Ti7.24 Zr4.76 -","- O24 Ti7.24 Zr4.76 -","- O24 Ti7.24 Zr4.76 -","1","0.125","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0989","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008745","14.418","0","5.76","0","5.099","0","90","","90","","90","","423.5","","","","","","","","","","","","natural","4","P b c n","-P 2n 2ab","60","","Manganese niobium tantalum oxide *","Manganotantalite","- Mn Nb O6 Ta -","- Mn Nb O6 Ta -","- Mn4 Nb4 O24 Ta4 -","4","0.5","","Klein, S; Weitzel, H","Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit","Acta Crystallographica A (24,1968-38,1982)","1976","32","","587","591","10.1107/S0567739476001253","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008790","4.8042","0.0002","5.4825","0.0003","5.0313","0.0002","90","","90","","90","","132.5","","","","","","","","","","quenched from above 1423K","","synthetic from oxides, quenched from above 1423K","3","P b c n","-P 2n 2ab","60","","Zirconium titanium oxide (0.5/0.5/2) - HT","Srilankite","- O2 Ti0.5 Zr0.5 -","- O2 Ti0.5 Zr0.5 -","- O8 Ti2 Zr2 -","4","0.5","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0779","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008828","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dilead(II) diiron(III) digermanium(IV) oxide","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","TA1174","Barbier, J; Levy, D","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","1","2","5","10.1107/S0108270197012687","","","0.56086","AgKα","","0.032","0.0317","","","","0.0633","","","","0.926","0.926","0.868","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100161","20.4557","0.0018","10.4408","0.0009","15.0918","0.0013","90","","90","","90","","3223.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 N4 O6.5 Zn -","- C12 H18 N4 O6.5 Zn -","- C96 H144 N32 O52 Zn8 -","8","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1021","0.0401","","","0.0869","0.0986","","","","","","0.924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100211","25.54","0.002","13.223","0.001","11.653","0.002","90","","90","","90","","3935.4","","","","223","","","","","","","","","6","P b c n","-P 2n 2ab","60","","bis(Trimethylsilyl)aminotriethylphosphonium iodide","","- C12 H33 I N P Si2 -","- C15 H42 I N P Si2 -","- C120 H336 I8 N8 P8 Si16 -","8","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","3.7","","","3.7","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100256","29.4359","0.0018","20.482","0.0011","18.9377","0.0008","90","","90","","90","","11417.7","","","","193","","","","","","","","","6","P b c n","-P 2n 2ab","60","","tetrakis(μ~3~-Tricyclohexylphosphoraneiminato)-bis(tricyclohexylphosphine oxi de)-tetra-potassium","","- C108 H198 K4 N4 O2 P6 -","- C232 H432 K8 N8 O4 P12 -","- C928 H1728 K32 N32 O16 P48 -","4","0.5","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","4.28","","","4.28","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1100371","11.825","0.002","21.268","0.008","18.597","0.004","90","","90","","90","","4677.04","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H64 Li2 N2 O13 S2 -","- C82 H138 Li4 N4 O25 S4 -","- C328 H552 Li16 N16 O100 S16 -","4","0.5","","Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael","[(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid","Angewandte Chemie, International Edition in English","1994","33","1","115","117","10.1002/anie.199401151","","","","","","","","","","","","","","","","","","","","","has coordinates","177283","2020-10-21","18:00:00",""
"1100425","33.631","0.007","12.174","0.002","15.285","0.003","90","","90","","90","","6258.04","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H33 B Cr2 O6 -","- C33 H33 B Cr2 O6 -","- C264 H264 B8 Cr16 O48 -","8","1","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100551","11.647","0.002","17.897","0.004","23.513","0.005","90","","90","","90","","4901.2","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H72 N6 P4 Si4 Zn3 -","- C60 H180 N12 P8 Si8 Zn5 -","- C240 H720 N48 P32 Si32 Zn20 -","4","0.5","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100562","14.878","0.001","12.994","0.001","12.597","0.001","90","","90","","90","","2435.31","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H42 N2 Si5 -","- C28 H84 N4 Si9 -","- C112 H336 N16 Si36 -","4","0.5","","Mommertz, Andreas; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt","Kristallstrukturen von Me~2~Si[N(SiMe~3~)~2~]~2~ und [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ / Crystal Structures of Me~2~Si[N(SiMe~3~)~2~]~2~ and [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1998","53","9","977","980","10.1515/znb-1998-0908","","","","","","","","","","","","","","","","","","","","","has coordinates","177129","2020-10-21","18:00:00",""
"1100975","11.747","0.003","13.566","0.004","14.367","0.004","90","","90","","90","","2289.5","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn2Cl4(Me2biim)2]","","","- C16 H20 Cl4 N8 Zn2 -","- C16 H20 Cl4 N8 Zn2 -","- C64 H80 Cl16 N32 Zn8 -","4","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0453","0.0414","","","0.1409","0.1452","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101136","16.778","0.003","18.433","0.004","13.403","0.004","90","","90","","90","","4145","2","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 Ag4 N16 O13 S3 -","- C28 H36 Ag4 N16 O13 S3 -","- C112 H144 Ag16 N64 O52 S12 -","4","0.5","","Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós","Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal","Anales de Quimica, International Edition","1996","92","","249","254","","","","","","","","0.064","","","0.082","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101137","14.207","0.003","15.187","0.003","17.165","0.003","90","","90","","90","","3703.5","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 N8 O3 Pt S -","- C14 H16 N8 O3 Pt S -","- C112 H128 N64 O24 Pt8 S8 -","8","1","","Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José","Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}}","Inorganic Chemistry","1996","35","26","7829","7835","10.1021/ic960496e","","","","","","","0.0933","","","0.1152","","","","","","","","","","","has coordinates,has disorder","210307","2020-10-21","18:00:00",""
"1502107","13.5","0.003","15.178","0.003","11.351","0.002","90","","90","","90","","2325.9","0.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0581","0.0373","","","","0.0924","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502177","9.585","0.002","15.461","0.003","23.811","0.005","90","","90","","90","","3528.6","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H58 O2 S2 -","- C40 H58 O2 S2 -","- C160 H232 O8 S8 -","4","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0884","0.072","","","0.1249","0.1321","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502676","12.974","0.002","5.0702","0.001","9.5069","0.001","90","","90","","90","","625.37","0.17","95","2","95","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Hydrazineborane","","","- B H7 N2 -","- B H7 N2 -","- B8 H56 N16 -","8","1","","Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter","Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.","The journal of physical chemistry. A","2010","114","37","10185","10196","10.1021/jp100995n","","","0.71073","MoKα","","0.032","0.018","","","","0.042","0.031","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503091","27.672","0.005","10.248","0.002","13.417","0.003","90","","90","","90","","3804.8","1.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H16 Fe N2 O2 -","- C25 H16 Fe N2 O2 -","- C200 H128 Fe8 N16 O16 -","8","1","","Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava","Specific recognition and sensing of CN- in sodium cyanide solution.","Organic letters","2010","12","15","3406","3409","10.1021/ol101281x","","","0.71073","MoKα","","0.0466","0.0382","","","0.1032","0.1105","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503161","11.301","0.0018","17.774","0.003","22.517","0.004","90","","90","","90","","4522.9","1.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H23 N2 O4.5 -","- C27 H23 N2 O4.5 -","- C216 H184 N16 O36 -","8","1","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin","An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.","Organic letters","2010","12","18","4026","4029","10.1021/ol1015948","","","0.71073","MoKα","","0.1653","0.0659","","","0.1253","0.1499","","","","","","0.947","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503246","25.683","0.003","12.1372","0.0013","11.0178","0.0012","90","","90","","90","","3434.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","1","","Tang, Xiang-Ying; Wei, Yin; Shi, Min","Thermally induced electrocyclic reaction of methylenecyclopropane methylene diketone derivatives: a facile method for the synthesis of spiro[2.5]octa-3,5-dienes.","Organic letters","2010","12","22","5120","5123","10.1021/ol102002f","","","0.71073","MoKα","","0.122","0.0488","","","0.1294","0.1556","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503476","11.4305","0.0008","25.443","0.002","12.0501","0.0008","90","","90","","90","","3504.5","0.4","110","","110","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C192 H144 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0433","0.04","","0.1145","0.1097","0.1145","","","","","","0.9889","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503629","15.278","0.002","15.133","0.002","15.916","0.002","90","","90","","90","","3679.8","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H22 N2 O5 -","- C20 H21 N2 O5 -","- C160 H168 N16 O40 -","8","1","","Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang","Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones.","Organic letters","2012","14","4","1176","1179","10.1021/ol300240k","","","0.71073","MoKα","","0.1344","0.0737","","","0.2164","0.2654","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503950","32.948","0.003","17.014","0.001","31.987","0.002","90","","90","","90","","17931","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57.5 H40.5 Cl I2 O -","- C56 H37 Cl I2 O -","- C896 H592 Cl16 I32 O16 -","16","2","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0955","0.0695","","","0.1946","0.2096","","","","","","1.106","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504104","33.2133","0.0014","7.9061","0.0003","17.9377","0.0006","90","","90","","90","","4710.2","0.3","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C216 H192 N16 O24 -","8","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0957","0.0773","","","0.223","0.243","","","","","","1.174","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504370","9.064","0.002","9.227","0.002","11.456","0.002","90","","90","","90","","958.1","0.3","20","1","20","1","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504371","9.062","0.001","9.216","0.002","11.411","0.002","90","","90","","90","","953","0.3","40","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504372","9.079","0.001","9.247","0.002","11.464","0.002","90","","90","","90","","962.4","0.3","70","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504373","9.099","0.003","9.225","0.003","11.495","0.003","90","","90","","90","","964.9","0.5","110","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504374","9.12","0.002","9.359","0.002","11.817","0.002","90","","90","","90","","1008.6","0.4","298","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504375","9.0859","0.0018","9.2413","0.0018","11.465","0.002","90","","90","","90","","962.7","0.3","20","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","0.5","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","","","0.71073","MoKα","","0.0218","0.0316","","","","0.0779","","","","","","2.0827","","","","has coordinates","192296","2020-10-21","18:00:00",""
"1504710","27.601","0.006","15.053","0.003","9.1793","0.0018","90","","90","","90","","3813.8","1.4","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H28 N9.33 -","- C28 H28 N9.33333 -","- C168 H168 N56 -","6","0.75","","Zhang, En-Xuan; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Synthesis of large macrocyclic azacalix[n]pyridines (n = 6 - 9) and their complexation with fullerenes C(60) and C(70).","Organic letters","2008","10","12","2565","2568","10.1021/ol800840m","","","0.71073","MoKα","","0.1327","0.0761","","","0.2093","0.2369","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504787","18.403","0.006","8.002","0.003","14.417","0.005","90","","90","","90","","2123.1","1.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","TTPLY","","","- C26 H10 S8 -","- C26 H10 S8 -","- C104 H40 S32 -","4","0.5","","Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.","Tetrathiophenalenyl radical and its disulfide-bridged dimer.","Organic letters","2008","10","14","3121","3123","10.1021/ol801159z","","","0.71073","MoKα","","0.1828","0.0609","","","0.1028","0.1425","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504913","22.06","0.03","12.69","0.02","29.55","0.04","90","","90","","90","","8272","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C94 H76 Cl4 N8 O8 -","- C94 H76 Cl4 N8 O8 -","- C376 H304 Cl16 N32 O32 -","4","0.5","","Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya","Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids.","Organic letters","2008","10","20","4601","4604","10.1021/ol801888d","","","0.71075","MoKα","","0.1618","0.0807","","","0.1869","0.2099","","","","","","0.995","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505159","38.741","0.004","12.0548","0.0014","9.6188","0.0011","90","","90","","90","","4492.1","0.9","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","HT-TDA-HT","","- C22 H30 N2 S3 -","- C22 H30 N2 S3 -","- C176 H240 N16 S24 -","8","1","","Pang, Hao; Skabara, Peter J.; Crouch, David J.; Duffy, Warren; Heeney, Martin; McCulloch, Iain; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Structural and Electronic Effects of 1,3,4-Thiadiazole Units Incorporated into Polythiophene Chains","Macromolecules","2007","40","18","6585","","10.1021/ma071242n","","","0.71073","MoKα","","0.1155","0.0633","","","0.1471","0.1965","","","","","","1.143","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505160","38.796","0.003","12.1462","0.0005","9.6432","0.0006","90","","90","","90","","4544.1","0.5","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","HS-TDA-HS","","- C22 H30 N2 S Se2 -","- C22 H30 N2 S Se2 -","- C176 H240 N16 S8 Se16 -","8","1","","Pang, Hao; Skabara, Peter J.; Crouch, David J.; Duffy, Warren; Heeney, Martin; McCulloch, Iain; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Structural and Electronic Effects of 1,3,4-Thiadiazole Units Incorporated into Polythiophene Chains","Macromolecules","2007","40","18","6585","","10.1021/ma071242n","","","0.71073","MoKα","","0.1143","0.0513","","","0.1142","0.1537","","","","","","1.087","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505381","17.22","0.003","11.154","0.002","27.154","0.005","90","","90","","90","","5215.5","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 N3 O2 S -","- C28 H35 N3 O2 S -","- C224 H280 N24 O16 S8 -","8","1","","Xu, Xiaoliang; Cheng, Dongping; Li, Jinghua; Guo, Hongyun; Yan, Jie","Copper-catalyzed highly efficient multicomponent reactions: synthesis of 2-(sulfonylimino)-4-(alkylimino)azetidine derivatives.","Organic letters","2007","9","8","1585","1587","10.1021/ol070485x","","","0.71069","MoKα","","0.057","0.0411","","","0.109","0.1173","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505766","8.534","0.003","21.189","0.005","17.251","0.008","90","","90","","90","","3119","2","160","2","160","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Er F24 O8 -","- C20 H4 Cs Er F24 O8 -","- C80 H16 Cs4 Er4 F96 O32 -","4","0.5","","Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.","Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.","The journal of physical chemistry. B","2006","110","48","24476","24479","10.1021/jp0654462","","","0.71073","MoKα","","0.101","0.043","","","0.1044","0.1288","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506187","26.12","0.005","9.092","0.0018","11.853","0.002","90","","90","","90","","2814.9","0.9","183","2","183","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","0.5","","Bérubé, Amélie; Drutu, Ioana; Wood, John L.","Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.","Organic letters","2006","8","24","5421","5424","10.1021/ol061737h","","","0.71073","MoKα","","0.1169","0.0764","","","0.2128","0.2252","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506707","20.395","0.002","11.2144","0.0013","13.2709","0.0016","90","","90","","90","","3035.3","0.6","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","15","7,14,22,29-tetraaza-1,5,16,20-tetrachloro-31,31,32,32-tetramethoxynonacyclo [18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28] dotriacontane-6(15),8,9,11,14,21(30),23,24,26,28,29-decaene.","","- C32 H28 Cl4 N4 O4 -","- C32 H28 Cl4 N4 O4 -","- C128 H112 Cl16 N16 O16 -","4","0.5","","Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju","Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.","Organic letters","2005","7","22","4843","4846","10.1021/ol051707z","","","0.71073","MoKα","","0.0509","0.037","","","0.0874","0.0924","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507216","15.0526","0.0009","7.086","0.001","22.0077","0.0003","90","","90","0.2","90","","2347.4","0.4","296.1","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H16 N6 O10 -","- C22 H16 N6 O10 -","- C88 H64 N24 O40 -","4","0.5","","Akutagawa, Tomoyuki; Uchimaru, Tadafumi; Sakai, Ken-ichi; Hasegawa, Tatsuo; Nakamura, Takayoshi","Bidentated Hydrogen Bond from [O−H···N−N···H−O] to [O-···+H−N−N−H+···-O] Structures in Solids","The Journal of Physical Chemistry B","2003","107","26","6248","","10.1021/jp027219f","","","0.7107","MoKα","","","0.047","","","","0.058","","","","","","1.077","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507378","11.994","0.003","11.904","0.003","15.388","0.003","90","","90","","90","","2197","0.9","296.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","0.5","","Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki","Absolute helical arrangement of sulfonamide in the crystal.","Organic letters","2003","5","21","3939","3942","10.1021/ol035509o","","","1.5418","CuKα","","","0.0529","","","","0.0839","","","","","","1.403","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507782","12.891","0.012","13.324","0.011","23.68","0.02","90","","90","","90","","4067","6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H32 Cl4 Cu2 N4 O4 -","- C44 H32 Cl4 Cu2 N4 O4 -","- C176 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S","Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates","Inorganica Chimica Acta","2011","375","1","106","113","10.1016/j.ica.2011.04.033","","","0.71073","MoKα","","0.2016","0.0798","","","0.1223","0.1626","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507870","18.1522","0.0012","11.5989","0.0008","18.603","0.0013","90","","90","","90","","3916.8","0.5","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C144 H224 N16 O24 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0794","0.0518","","","0.1474","0.1714","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507924","10.329","0.0007","14.725","0.0009","26.376","0.001","90","","90","","90","","4011.6","0.4","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H20 O6 -","- C25 H20 O6 -","- C200 H160 O48 -","8","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.7107","MoKα","","0.1096","0.066","","","0.1167","0.1343","","","","","","1.103","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508032","15.5486","0.0002","21.1547","0.0002","23.1083","0.0002","90","","90","","90","","7600.92","0.14","153","2","153","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 N3 O40 P V2 W10 -","- C24 N3 O40 P V2 W10 -","- C96 N12 O160 P4 V8 W40 -","4","0.5","","Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate.","Nature chemistry","2010","2","6","478","483","10.1038/nchem.648","","x-ray","0.71069","MoKα","","","0.0761","","","","0.2302","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508363","15.525","0.0014","22.703","0.002","31.993","0.003","90","","90","","90","","11276.4","1.8","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H88 N24 Ni6 O19 S2 -","- C94 H76 N24 Ni6 O19 S2 -","- C376 H304 N96 Ni24 O76 S8 -","4","0.5","","Zheng, Xiao-Feng; Zhu, Long-Guan","An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O","Crystals","2011","1","3","120","127","10.3390/cryst1030120","","","0.71073","MoKα","","0.1514","0.074","","","0.2034","0.26","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508916","31.372","0.003","7.5677","0.0008","7.9918","0.0009","90","","90","","90","","1897.4","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Cu N6 S2 -","- C18 H18 Cu N6 S2 -","- C72 H72 Cu4 N24 S8 -","4","0.5","","Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.","In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.","Journal of medicinal chemistry","2013","56","3","722","734","10.1021/jm300938r","","","0.71073","MoKα","","0.0499","0.0363","","","0.0903","0.0963","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509212","8.441","","8.68","","19.741","","90","","90","","90","","1446.38","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ag (B O2)","","- Ag B O2 -","- Ag B O2 -","- Ag32 B32 O64 -","32","4","","Brachtel, G.; Jansen, M.","Silber(I)-metaborat, Ag B O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","478","","13","19","10.1002/zaac.19814780703","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510039","8.1597","","8.7932","","7.0278","","90","","90","","90","","504.244","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Tl Ag3 S2","","- Ag3 S2 Tl -","- Ag3 S2 Tl -","- Ag12 S8 Tl4 -","4","0.5","","Elfwing, T.; Eriksson, L.","Synthesis and crystal structure determination of TlAg~3~S~2~","Materials Science Forum","1994","","","683","686","10.4028/www.scientific.net/MSF.166-169.683","","","","","","","","","","","","","","","","","","","","","has coordinates","182039","2020-10-21","18:00:00",""
"1510398","11.8241","","5.9922","","11.8013","","90","","90","","90","","836.15","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Eu4 (Au2 O9)","","- Au2 Eu4 O9 -","- Au2 Eu4 O9 -","- Au8 Eu16 O36 -","4","0.5","","Jansen, M.; Figulla-Kroschel, C.","Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2178","2184","10.1002/1521-3749(200010)626:10<2178::AID-ZAAC2178>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510407","10.9928","","9.007","","21.515","","90","","90","","90","","2130.25","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Lu F (Au F4)2","","- Au2 F9 Lu -","- Au2 F9 Lu -","- Au24 F108 Lu12 -","12","1.5","","Engelmann, U.; Mueller, B.G.","Tetrafluoroaurate(III) der Lanthaniden MF(AuF4)2 (M = Tm, Yb, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1661","1668","10.1002/zaac.19936191004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510408","11.0292","","9.0438","","21.6446","","90","","90","","90","","2158.96","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Tm F (Au F4)2","","- Au2 F9 Tm -","- Au2 F9 Tm -","- Au24 F108 Tm12 -","12","1.5","","Mueller, B.G.; Engelmann, U.","Tetrafluoroaurate(III) der Lanthaniden M F (Au F4)2 (M= Tm, Yb, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1661","1668","10.1002/zaac.19936191004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510409","11.0098","","9.0223","","21.5736","","90","","90","","90","","2142.99","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Yb F (Au F4)2","","- Au2 F9 Yb -","- Au2 F9 Yb -","- Au24 F108 Yb12 -","12","1.5","","Engelmann, U.; Mueller, B.G.","Tetrafluoroaurate(III) der Lanthaniden MF(AuF4)2 (M = Tm, Yb, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1661","1668","10.1002/zaac.19936191004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510442","12.1216","","6.3199","","12.1067","","90","","90","","90","","927.462","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","La4 Au2 O9","","- Au2 La4 O9 -","- Au2 La4 O9 -","- Au8 La16 O36 -","4","0.5","","Ralle, M.; Jansen, M.","Darstellung und Kristallstruktur des neuen Lanthanaurates La4 Au2 O9","Journal of Alloys Compd.","1994","203","","7","13","10.1016/0925-8388(94)90707-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510450","11.9813","","6.1474","","11.9641","","90","","90","","90","","881.202","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Nd4 (Au2 O9)","","- Au2 Nd4 O9 -","- Au2 Nd4 O9 -","- Au8 Nd16 O36 -","4","0.5","","Figulla-Kroschel, C.; Jansen, M.","Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2178","2184","10.1002/1521-3749(200010)626:10<2178::AID-ZAAC2178>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510453","11.8689","","6.036","","11.8469","","90","","90","","90","","848.72","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Sm4 (Au2 O9)","","- Au2 O9 Sm4 -","- Au2 O9 Sm4 -","- Au8 O36 Sm16 -","4","0.5","","Figulla-Kroschel, C.; Jansen, M.","Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2178","2184","10.1002/1521-3749(200010)626:10<2178::AID-ZAAC2178>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510567","10.424","","7.024","","22.27","","90","","90","","90","","1630.57","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na7 (Au5 S6)","","- Au5 Na7 S6 -","- Au5 Na7 S6 -","- Au20 Na28 S24 -","4","0.5","","Brunnbauer, G.; Klepp, K.O.","Na7Au5S6 - a novel thioaurate(I) based on a b.c.c. chalcogen packing","Journal of Alloys Compd.","1992","183","","252","262","10.1016/0925-8388(92)90749-Y","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512618","21.925","0.004","16.424","0.003","16.866","0.003","90","","90","","90","","6073.4","1.9","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H64 N2 O2 Zn -","- C64 H64 N2 O2 Zn -","- C256 H256 N8 O8 Zn4 -","4","0.5","","Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof","Inorganica Chimica Acta","2012","392","","292","299","10.1016/j.ica.2012.03.046","","","0.71073","MoKα","","","0.0812","","","0.203","0.2111","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512659","28.604","0.01","16.487","0.006","12.638","0.005","90","","90","","90","","5960","4","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H22 Cl2 Cu N6 O8 -","- C29 H22 Cl2 Cu N6 O8 -","- C232 H176 Cl16 Cu8 N48 O64 -","8","1","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.205","0.0699","","","0.0893","0.1069","","","","","","0.819","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512660","46.466","0.006","16.21","0.002","12.543","0.0017","90","","90","","90","","9448","2","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H68 Cl6 Cu3 N18 O24 -","- C94 H68 Cl6 Cu3 N18 O24 -","- C376 H272 Cl24 Cu12 N72 O96 -","4","0.5","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.1574","0.0688","","","0.1703","0.1956","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512694","20.459","0.007","10.684","0.005","20.362","0.007","90","","90","","90","","4451","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H56 N4 O14 Pt2 -","- C40 H52 N4 O14 Pt2 -","- C160 H208 N16 O56 Pt8 -","4","0.5","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0694","0.0524","","","0.1631","0.1783","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512713","14.3015","0.0018","7.1697","0.0009","15.1451","0.0019","90","","90","","90","","1552.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 N2 O8 Zn -","- C16 H12 N2 O8 Zn -","- C64 H48 N8 O32 Zn4 -","4","0.5","","Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao","Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand","Inorganica Chimica Acta","2012","393","","164","170","","","","0.71073","MoKα","","0.0338","0.0288","","","0.0759","0.0785","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512823","13.8664","0.0018","14.8691","0.0019","21.014","0.003","90","","90","","90","","4332.7","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H48 N4 Ni2 O9 S2 -","- C37 H36 N4 Ni2 O9 S2 -","- C148 H144 N16 Ni8 O36 S8 -","4","0.5","","Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace","Polynuclear nickel(II) complexes with salicylaldimine derivative ligands","Inorganica Chimica Acta","2013","394","","741","746","10.1016/j.ica.2012.09.037","","","0.71073","MoKα","","0.0906","0.0672","","","0.2205","0.2586","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512930","8.783","0.003","13.884","0.005","14.54","0.005","90","","90","","90","","1773.1","1.1","181","2","181","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H24 Br3 O3 Sc -","- C12 H24 Br3 O3 Sc -","- C48 H96 Br12 O12 Sc4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0986","0.0967","","","0.3862","0.3895","","","","","","2.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513005","8.8032","0.0015","23.534","0.004","20.553","0.004","90","","90","","90","","4258.1","1.3","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H31 Cu2 Mo5 N14 O23 P2 -","- C21 H31 Cu2 Mo5 N14 O23 P2 -","- C84 H124 Cu8 Mo20 N56 O92 P8 -","4","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.1123","0.0893","","","0.1565","0.1656","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513179","20.452","0.003","7.2803","0.001","21.203","0.003","90","","90","","90","","3157.1","0.8","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl N3 O3 Zn -","- C16 H12 Cl N3 O3 Zn -","- C128 H96 Cl8 N24 O24 Zn8 -","8","1","","Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue","Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine","Inorganica Chimica Acta","2013","397","","117","123","10.1016/j.ica.2012.11.030","","","0.71073","MoKα","","0.0697","0.0529","","","0.1173","0.1266","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513245","44.087","0.004","7.0736","0.0007","6.2427","0.0005","90","","90","","90","","1946.8","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Cornella, Josep; Martin, Ruben","Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.","Organic letters","2013","15","24","6298","6301","10.1021/ol4031815","","","0.71073","MoKα","","0.1053","0.076","","","0.1873","0.2004","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513281","11.167","0.007","7.445","0.004","32.828","0.017","90","","90","","90","","2729","3","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H28 B10 -","- C30 H18 B10 -","- C120 H72 B40 -","4","0.5","","Kokado, Kenta; Tokoro, Yuichiro; Chujo, Yoshiki","Luminescentm-Carborane-Based π-Conjugated Polymer","Macromolecules","2009","42","8","2925","","10.1021/ma900174j","","","0.71075","MoKα","","0.1706","0.0897","","","0.2067","0.2401","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513387","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","He, Shuzhong; Yang, Wei; Zhu, Lizhi; Du, Guangyan; Lee, Chi-Sing","Bioinspired Total Synthesis of (±)-Yezo'otogirin C.","Organic letters","2014","16","2","496","499","10.1021/ol403374h","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513558","19.2525","0.0015","26.897","0.002","16.0354","0.0011","90","","90","","90","","8303.7","1.1","170","2","170","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C74 H83 F6 N7 O15 P -","- C66 H66 F6 N6 O14 P -","- C264 H264 F24 N24 O56 P4 -","4","0.5","","Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong","Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition.","Organic letters","2014","16","1","126","129","10.1021/ol403111e","","","0.71073","MoKα","","0.0854","0.0592","","","0.1827","0.1988","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515117","19.076","0.006","9.301","0.003","10.997","0.003","90","","90","","90","","1951.2","1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 B2 N2 -","- C10 H10 B2 N2 -","- C80 H80 B16 N16 -","8","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0743","0.0463","","","0.1012","0.1157","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515267","20.8494","0.0019","10","0.0007","13.5537","0.001","90","","90","","90","","2825.9","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 N6 Si -","- C32 H28 N6 Si -","- C128 H112 N24 Si4 -","4","0.5","","Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong","What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission","Chemical Science","2012","3","9","2737","","10.1039/c2sc20382k","","x-ray","1.5418","CuKα","","0.0588","0.0413","","","0.1049","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515360","13.987","0.007","8.17","0.004","24.959","0.012","90","","90","","90","","2852","2","100","2","100","2","","","","","","","Nathalie Busschaert","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 S -","- C13 H19 Cl N2 S -","- C104 H152 Cl8 N16 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1033","0.0914","","","0.1303","0.1342","","","","","","1.324","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515412","10.5317","0.0002","13.1456","0.0002","13.7434","0.0002","90","","90","","90","","1902.71","0.05","200","","200","","","","","","","","local","2","P b c n","-P 2n 2ab","60","","","","- C24 H34 -","- C24 H34 -","- C96 H136 -","4","0.5","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.0563","0.0442","","0.1291","0.1249","0.1291","","","","","","0.9501","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515911","22.339","0.005","10.971","0.003","10.585","0.003","90","","90","","90","","2594.2","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2024","0.0627","","","0.0766","0.1057","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515912","22.3","0.03","11.026","0.018","10.542","0.018","90","","90","","90","","2592","7","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15- dithiatetracyclo-(10.3.0.0<2,6>.0<7,11>) pentadeca-4,6(7),11(12),13- tetraene (12%)","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo- [10.3.0.0<2,6>.0<7,11>] pentadeca-4,6(7),11(12),13-tetraene (12%)","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2251","0.1009","","","0.2138","0.2612","","","","","","1.133","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515913","21.5461","0.0015","10.8096","0.0008","10.8098","0.0008","90","","90","","90","","2517.7","0.3","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0602","0.0385","","","0.0882","0.1002","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515914","21.586","0.002","10.8692","0.0011","10.7268","0.0011","90","","90","","90","","2516.7","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0463","0.0332","","","0.0731","0.0807","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515916","21.307","0.006","12.193","0.004","10.669","0.003","90","","90","","90","","2771.8","1.4","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C31 H26 F6 S2 -","- C31 H26 F6 S2 -","- C124 H104 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0531","0.036","","","0.0889","0.0995","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516103","18.945","0.0007","8.6958","0.0004","20.3655","0.0008","90","","90","","90","","3355.1","0.2","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M","Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes.","Organic letters","2012","14","19","5082","5085","10.1021/ol3023177","","","0.71073","MoKα","","0.103","0.0863","","","0.2444","0.2651","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516377","12.7108","0.0007","7.8485","0.0005","34.116","0.002","90","","90","","90","","3403.4","0.3","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C176 H144 N16 -","8","1","","Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.","The journal of physical chemistry. A","2009","113","17","4868","4877","10.1021/jp807748t","","","0.71073","MoKα","","0.096","0.0763","","","0.1345","0.1422","","","","","","1.232","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516506","14.1173","0.0002","15.5837","0.0002","28.1669","0.0005","90","","90","","90","","6196.71","0.16","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C224 H192 Cl16 F48 N48 O24 P8 Ru8 -","8","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0555","0.0482","","","0.1333","0.1407","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516584","28.5952","0.0014","7.5369","0.0003","15.6922","0.0008","90","","90","","90","","3382","0.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H12 Se2 -","- C24 H12 Se2 -","- C192 H96 Se16 -","8","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0251","0.0199","","","0.0471","0.0502","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516657","11.3862","0.0005","10.0904","0.0006","18.8335","0.0009","90","","90","","90","","2163.81","0.19","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C112 H72 N16 O8 -","4","0.5","","Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng","The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.","Organic letters","2007","9","2","235","238","10.1021/ol062668+","","","0.71073","MoKα","","0.1237","0.0537","","","0.1217","0.1648","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516855","19.9212","0.0014","8.2523","0.0006","23.3202","0.0016","90","","90","","90","","3833.7","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H24 B2 Fe N6 O6 -","- C14 H24 B2 Fe N6 O6 -","- C112 H192 B16 Fe8 N48 O48 -","8","1","","Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov","Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs","Inorganica Chimica Acta","2013","399","","67","78","","","","0.71073","MoKα","","0.0604","0.0428","","","0.0882","0.0973","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517034","14.173","0.002","10.1535","0.0013","15.833","0.002","90","","90","","90","","2278.5","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 Ni -","- C12 H8 N4 Ni -","- C96 H64 N32 Ni8 -","8","1","","Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao","Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties","Inorganica Chimica Acta","2013","402","","1","5","","","","0.71073","MoKα","","0.0452","0.0307","","","0.0759","0.0847","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517127","11.8","0.0005","6.913","0.0007","20.7381","0.0008","90","","90","","90","","1691.7","0.2","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Nb O4 -","- C16 H18 Br2 Nb O4 -","- C64 H72 Br8 Nb4 O16 -","4","0.5","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0426","0.031","","","0.0635","0.069","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517390","22.1736","0.0005","8.6842","0.0002","10.5294","0.0002","90","","90","","90","","2027.54","0.08","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 B2 F8 N2 -","- C22 H18 B2 F8 N2 -","- C88 H72 B8 F32 N8 -","4","0.5","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney","Photophysical and Electrochemical Characterization of a Helical Viologen, N,N'-Dimethyl-5,10-diaza[5]helicene.","Organic letters","2014","16","17","4610","","10.1021/ol502180y","","","0.71073","MoKα","","0.0521","0.0426","","","0.1182","0.1269","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517573","9.2186","0.0018","17.128","0.003","17.041","0.003","90","","90","","90","","2690.7","0.9","566","2","566","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H34 Cd N4 O4 -","- C28 H34 Cd N4 O4 -","- C112 H136 Cd4 N16 O16 -","4","0.5","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.0897","0.0789","","","0.1877","0.1979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517662","18.8157","0.0016","10.5029","0.0009","15.0591","0.0015","90","","90","","90","","2976","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C128 H104 N8 O32 S8 -","8","1","","Reddy, Mallu Chenna; Jeganmohan, Masilamani","Ruthenium-Catalyzed Cyclization of Aromatic Nitriles with Alkenes: Stereoselective Synthesis of (Z)-3-Methyleneisoindolin-1-ones.","Organic letters","2014","16","18","4866","4869","10.1021/ol502375p","","","0.71073","MoKα","","0.0651","0.0397","","","0.1231","0.1462","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517683","12.772","0.003","35.464","0.007","25.664","0.005","90","","90","","90","","11624","4","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C320 H288 Ag48 F84 N96 O128 S36 -","8","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1315","0.1258","","","0.3468","0.3558","","","","","","1.154","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517705","7.4381","0.0001","11.6257","0.0002","23.9731","0.0005","90","","90","","90","","2073.03","0.06","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl2 N8 O2 Zn -","- C16 H20 Cl2 N8 O2 Zn -","- C64 H80 Cl8 N32 O8 Zn4 -","4","0.5","","Bozidar Cobeljic; Andrej Pevec; Iztok Turel; Marcel Swart; Dragana Mitic; Marina Milenkovic; Ivanka Markovic; Maja Jovanovic; Dusan Sladic; Marko Jeremic; Katarina Andelkovic","Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide","Inorganica Chimica Acta","2013","404","","5","12","","","","0.71073","MoKα","","0.0484","0.0315","","","0.0767","0.084","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517719","7.4378","0.0005","20.871","0.0014","33.529","0.002","90","","90","","90","","5204.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H19.5 Cd2 N3 O10.25 -","- C27 H19 Cd2 N3 O10.125 -","- C216 H152 Cd16 N24 O81 -","8","1","","Julie A. Wilson; Peter E. Kraft; Robert L. LaDuca","Dipyridylamide isomer influenced dimensionality in luminescent cadmium phthalate coordination polymers with similar tetranuclear clusters and ribbon motifs","Inorganica Chimica Acta","2013","404","","97","104","","","","0.71073","MoKα","","0.0383","0.0286","","","0.0625","0.0667","","","","","","1.036","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517730","12.0819","0.0002","8.6848","0.0001","8.7452","0.0001","90","","90","","90","","917.62","0.02","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Niobium Phosphorus Oxide (1.9/2.8/12)","","- Nb1.91 O12 P2.82 -","- Nb1.91 O12 P2.82 -","- Nb7.64 O48 P11.28 -","4","0.5","","Zah-Letho, J.J.; Verbaere, A.; Jouanneaux, A.; Taulelle, F.; Piffard, Y.; Tournoux, M.","""Nb2-x P3-y O12"", a novel Nb(V) oxophosphate with disordered cation vacancies in a Sc2 (W O4)3 - type structure","Journal of Solid State Chemistry","1995","116","","335","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518113","12.869","0.002","8.716","0.005","8.6989","0.0013","90","","90","","90","","975.7","0.6","","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Cr3 O12 Tl2 -","- Cr3 O12 Tl2 -","- Cr12 O48 Tl8 -","4","0.5","","Riou, A.; Gerault, Y.; Cudennec, Y.","Determination structurale du chromate de thallium trivalent Tl2(CrO4)3","Revue de Chimie Minerale","1986","23","","70","79","","","x-ray","0.71069","MoKα","","","0.049","","","0.058","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518154","14.5572","0.0008","13.9044","0.0008","24.0822","0.0014","90","","90","","90","","4874.5","0.5","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C22 H22.5 B Cl Cr F4 N4.5 O3 -","- C22 H17 B Cl Cr F4 N4.5 O3 -","- C176 H136 B8 Cl8 Cr8 F32 N36 O24 -","8","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0629","0.0502","","","0.1267","0.1357","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518177","16.4977","0.0007","18.1051","0.0008","19.5351","0.0009","90","","90","","90","","5835","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H44 F12 N6 O13 P2 -","- C51 H44 F12 N6 O13 P2 -","- C204 H176 F48 N24 O52 P8 -","4","0.5","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.0918","0.0709","","","0.2033","0.2265","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518212","11.1263","0.0003","14.1527","0.0004","26.2319","0.0007","90","","90","","90","","4130.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Au N3 O4 -","- C24 H18 Au N3 O4 -","- C192 H144 Au8 N24 O32 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0382","0.0303","","","0.0573","0.0598","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518505","16.043","0.002","7.3937","0.0009","16.055","0.002","90","","90","","90","","1904.4","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(IMes)]","","- C21 H24 N2 Se -","- C21 H24 N2 Se -","- C84 H96 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0791","0.0686","","","0.1823","0.1917","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518508","15.9194","0.0019","7.4418","0.0007","16.1915","0.0019","90","","90","","90","","1918.2","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(SIMes)]","","- C21 H26 N2 Se -","- C21 H26 N2 Se -","- C84 H104 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0295","0.0239","","","0.0688","0.0715","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518806","32.864","0.004","16.0484","0.0018","18.474","0.002","90","","90","","90","","9743.5","1.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H59 F9 Mo2 N2 O9 -","- C43 H59 F9 Mo2 N2 O9 -","- C344 H472 F72 Mo16 N16 O72 -","8","1","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0826","0.0628","","","0.1615","0.1754","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518881","21.8109","0.0017","13.5026","0.0011","17.5034","0.0016","90","","90","","90","","5154.8","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","compound 3","","- C30 H33 B N2 Si -","- C30 H33 B N2 Si -","- C240 H264 B8 N16 Si8 -","8","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.1145","0.0481","","","0.0802","0.0912","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1518907","18.9562","0.0015","15.493","0.0015","14.8168","0.0014","90","","90","","90","","4351.5","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H16 O2 -","- C34 H16 O2 -","- C272 H128 O16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.1353","0.0651","","","0.1611","0.19","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518995","16.428","0.006","13.329","0.005","14.387","0.005","90","","90","","90","","3150","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C120 H168 N8 O32 S8 -","8","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant.","Organic letters","2015","17","6","1485","1488","10.1021/acs.orglett.5b00373","","","0.71073","MoKα","","0.0951","0.0525","","","0.1259","0.1452","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519030","8.339","0.0017","13.259","0.003","56.023","0.011","90","","90","","90","","6194","2","","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- K12 Se35 Ta6 -","- K12 Se35 Ta6 -","- K48 Se140 Ta24 -","4","0.5","","Tougait, O.; Ibers, J. A.","New tantalum polychalcogenides with infinite anionic chains : K12Ta6Se35 and KTaTe3","Solid State Sciences","1999","1","","523","534","","","x-ray","0.71073","MoKα","","","0.039","","","0.076","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519171","15.6","0.002","10.877","0.001","13.193","0.005","90","","90","","90","","2238.6","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H20 Fe2 S5 -","- C25 H20 Fe2 S5 -","- C100 H80 Fe8 S20 -","4","0.5","","Underhill, Allan E.; Hibbs, Dai E.; Hursthouse, Michael B.","C25H20Fe2S5","Crystal Structure Report Archive","1996","","","790","","","","","0.71069","MoKα","","0.0597","0.0366","","0.064","0.0607","","","","0.975","1.092","1.092","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519178","22.689","","10.283","","6.571","","90","","90","","90","","1533.09","","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Hibbs, D. E.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Roberts, S. M.; Gregory, R. J. H.","7-Chloro-6-cyano-6-hydroxybicyclo(3.2.0)hept-2-ene","Crystal Structure Report Archive","1997","","","104","","","","","0.71069","MoKα","","0.1023","0.0474","","0.1028","0.0918","","","","0.64","0.917","0.917","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519202","9.419","0.002","15.687","0.003","22.166","0.005","90","","90","","90","","3275.2","1.2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H28 Cl3 Fe O P2 Re -","- C34 H28 Cl3 Fe O P2 Re -","- C136 H112 Cl12 Fe4 O4 P8 Re4 -","4","0.5","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28Cl3FeOP2Re","Crystal Structure Report Archive","1998","","","767","","","","","1.54178","CuKα","","0.0673","0.0534","","0.1589","0.1515","","","","1.06","1.16","1.16","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519273","14.5002","0.0003","13.4816","0.0003","7.0091","0.0001","90","","90","","90","","1370.18","0.05","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 O S4 -","- C13 H10 O S4 -","- C52 H40 O4 S16 -","4","0.5","","Murphy, P. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C13H10OS4","Crystal Structure Report Archive","2000","","","824","","","","","0.71073","MoKα","","0.0426","0.038","","","0.1019","0.1049","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519292","32.285","0.002","11.8982","0.0006","19.8475","0.0011","90","","90","","90","","7624.1","0.7","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C45 H31.5 N7.5 O9 -","- C45 H31.5 N7.5 O9 -","- C360 H252 N60 O72 -","8","1","","Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.","N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","120","","","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519425","14.1161","0.0003","15.8051","0.0011","14.538","0.0003","90","","90","","90","","3243.5","0.2","85","2","85","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu2 N8 O6 -","- C36 H34 Cu2 N8 O6 -","- C144 H136 Cu8 N32 O24 -","4","0.5","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0328","0.0327","","","0.0833","0.0834","","","","","","1.152","","","","has coordinates","138476","2020-10-21","18:00:00",""
"1519703","14.6978","0.0014","19.3933","0.0017","10.356","0.0009","90","","90","","90","","2951.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H8 Cu2 N8 O -","- C14 H8 Cu2 N8 O -","- C112 H64 Cu16 N64 O8 -","8","1","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0821","0.0538","","","0.1216","0.139","","","","","","1.033","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1519736","17.648","0.003","12.6089","0.0018","22.985","0.004","90","","90","","90","","5114.7","1.4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 N16 O16 Zn2 -","- C44 H36 Cl4 N16 O16 Zn2 -","- C176 H144 Cl16 N64 O64 Zn8 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4N16O16Zn2","Crystal Structure Report Archive","2004","","","990","","","","","0.71073","MoKα","","0.0552","0.0418","","","0.095","0.1018","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519737","17.335","0.003","12.828","0.002","23.107","0.004","90","","90","","90","","5138.4","1.5","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 Mn2 N16 O16 -","- C44 H36 Cl4 Mn2 N16 O16 -","- C176 H144 Cl16 Mn8 N64 O64 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4Mn2N16O16","Crystal Structure Report Archive","2004","","","991","","","","","0.71073","MoKα","","0.0745","0.0548","","","0.1298","0.1422","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519774","19.6222","0.0011","7.8609","0.0003","21.3982","0.0011","90","","90","","90","","3300.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H40 B4 Fe2 O8 -","- C36 H40 B4 Fe2 O8 -","- C144 H160 B16 Fe8 O32 -","4","0.5","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","C36H40B4Fe2O8","Crystal Structure Report Archive","2006","","","329","","","","","0.71073","MoKα","","0.1451","0.0905","","","0.1459","0.1676","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520318","12.2584","0.0005","10.1061","0.0004","31.0115","0.0013","90","","90","","90","","3841.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","JR21673","","","- C19 H23.6 B F2 N2 O5.3 -","- C19 H23.603 B F2 N2 O5.3015 -","- C152 H188.824 B8 F16 N16 O42.412 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0541","0.0383","","","0.0822","0.0887","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520368","39.9227","0.0015","8.317","0.0003","12.9213","0.0005","90","","90","","90","","4290.4","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C192 H208 N16 O32 -","16","2","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C12H13NO2","Crystal Structure Report Archive","2009","","","718","","","","","0.71073","MoKα","","0.1007","0.0711","","","0.1292","0.145","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520620","9.9133","0.0001","17.3454","0.0003","18.3631","0.0003","90","","90","","90","","3157.54","0.08","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H60 F N O6 -","- C26 H60 F N O6 -","- C104 H240 F4 N4 O24 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0623","0.0431","","0.1057","0.0972","0.1057","","","","","","0.9619","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521244","14.6673","","5.5925","","5.1888","","90","","90","","90","","425.621","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(Y0.96 Dy0.04) (Ti1.08 Nb0.92) O5.92 (O H)0.08","","- Dy0.04 H0.08 Nb0.92 O6 Ti1.08 Y0.96 -","- Dy0.04 Nb0.92 O6 Ti1.08 Y0.96 -","- Dy0.16 Nb3.68 O24 Ti4.32 Y3.84 -","4","0.5","","Johnsen, O.; Stahl, K.; Petersen, O.V.; Micheelsen, H.I.","Structure refinement of natural non-metamict polycrase-(Y) from Zomba-Malosa complex, Malawi","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1999","1999","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525212","17.974","","20.3199","","7.419","","90","","90","","90","","2709.64","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ca0.32 Ba3.32 (Al8.6 Si39.9 O96)","","- Al8.6 Ba3.32 Ca0.32 O96 Si39.9 -","- Al8.496 Ba3.32 Ca0.32 O96 Si39.504 -","- Al8.496 Ba3.32 Ca0.32 O96 Si39.504 -","1","0.125","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite-type framework. (VI). Dehydrated barium mordenite","Materials Research Bulletin","1978","13","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","146132","2020-10-21","18:00:00",""
"1525215","17.92","","20.31","","7.48","","90","","90","","90","","2722.39","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na7.3 K0.2 (Al8.3 Si39.9 O96)","","- Al8.3 K0.2 Na7.3 O96 Si39.9 -","- Al8.112 Na7.2 O96 Si39.888 -","- Al8.112 Na7.2 O96 Si39.888 -","1","0.125","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite-type framework. VIII Dehydrated sodium-exchanged mordenite","Materials Research Bulletin","1979","14","","751","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","146135","2020-10-21","18:00:00",""
"1525761","27.259","","6.897","","17.721","","90","","90","","90","","3331.64","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na10 Np2 (S O4)9 (H2 O)4","","- H8 Na10 Np2 O40 S9 -","- Na10 Np2 O40 S9 -","- Na40 Np8 O160 S36 -","4","0.5","","Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.","Crystal structure and spectral characteristics of double sodium neptunium(IV) sulfate","Radiokhimiya","2000","42","","36","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","146811","2020-10-21","18:00:00",""
"1525833","4.5792","","4.0956","","5.088","","90","","90","","90","","95.423","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.5","","Lodziana, Z.; Parlinski, K.; Hafner, J.","Ab initio studies of high-pressure transformations in Ge O2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1341061","1341067","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526463","12.1005","","8.6539","","8.6546","","90","","90","","90","","906.28","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Li2.78 (V0.9 Zr0.1)2 (P O4)3","","- Li2.78 O12 P3 V1.8 Zr0.2 -","- Li2.78 O12 P3 V1.8 Zr0.2 -","- Li11.12 O48 P12 V7.2 Zr0.8 -","4","0.5","","Sato, M.; Ohkawa, H.; Yoshida, K.; Saito, M.; Uematsu, K.; Toda, K.","Enhancement of discharge capacity of Li3 V2 (P O4)3 by stabilizing the orthorhombic phase at room temperature","Solid State Ionics","2000","135","","137","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","147654","2020-10-21","18:00:00",""
"1527175","20.718","","9.326","","12.59","","90","","90","","90","","2432.59","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 (Se (S2 O3)2) (H2 O)1.5","","- H11 N2 O7.5 S4 Se -","- H11 N2 O7.5 S4 Se -","- H88 N16 O60 S32 Se8 -","8","1","","Boyum, K.; Maroy, K.","The crystal structure of ammonium elenopentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2569","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527315","28.3","","11.39","","9.51","","90","","90","","90","","3065.43","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","K As O H F5","","- As K -","- As K -","- As24 K24 -","24","3","","Dunken, H.; Haase, W.; Schöunherr, F.","Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; zur Kristallstruktur von Kaliummonohydroxopentafluoroarsenat","Zeitschrift für Chemie","1967","7","11","442","443","10.1002/zfch.19670071130","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527451","14.413","","5.76","","5.084","","90","","90","","90","","422.068","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Mn.97 Ti.03) (Ta.64 Nb.36)2 O6","","- Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 -","- Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 -","- Mn3.88 Nb2.88 O24 Ta5.12 Ti0.12 -","4","0.5","","Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C.","The crystal structures of tantalite, ixiolite and wodginite from Bernic Lake, Manitoba I. tantalite and ixiolite","Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","149036","2020-10-21","18:00:00",""
"1527452","4.785","","5.758","","5.16","","90","","90","","90","","142.168","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ta.42 Mn.30 Nb.24 Ti0.02 O2","","- Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 -","- Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 -","- Mn1.2 Nb0.96 O8 Ta1.68 Ti0.08 -","4","0.5","","Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C.","The crystal structures of tantalite, ixiolite and wodginite from bernic lake, manitoba I. Tantalite and ixiolite","Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","149037","2020-10-21","18:00:00",""
"1527724","16.176","","6.259","","6.309","","90","","90","","90","","638.758","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K D3 (Se O3)2","","- D3 K O6 Se2 -","- D3 K O6 Se2 -","- D12 K4 O24 Se8 -","4","0.5","","Lehmann, M.S.; Larsen, F.K.","The hydrogen bond system in potassium trihydrogen bis-selenite, K H3 (Se O3)2, and in potassium trideuterio bis- selenite K D3 (Se O3)2, as determined by neutron diffraction","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3859","3871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527764","20.316","","9.229","","12.248","","90","","90","","90","","2296.46","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K2 (S3 (S O3)2) (H2 O)1.5","","- H3 K2 O7.5 S5 -","- H3 K2 O7.5 S5 -","- H24 K16 O60 S40 -","8","1","","Maroy, K.","The crystal structure of potassium pentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2580","2590","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527765","21.32","","9.446","","12.437","","90","","90","","90","","2504.67","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Rb2 (Te (S2 O3)2) (H2 O)1.5","","- H3 O7.5 Rb2 S4 Te -","- H3 O7.5 Rb2 S4 Te -","- H24 O60 Rb16 S32 Te8 -","8","1","","Maroy, K.","The crystal structure of rubidium telluropentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2557","2568","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527881","4.732","","6.037","","5.204","","90","","90","","90","","148.663","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Mo2 C","","- C Mo2 -","- C1.02 Mo2 -","- C4.08 Mo8 -","4","0.5","","Norlund Christensen, A.","A neutron diffraction investigation on a crystal of alpha-Mo2 C","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","509","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528199","11.75","","6.79","","19.21","","90","","90","","90","","1532.62","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Cu As Se","","- As Cu Se -","- As Cu Se -","- As24 Cu24 Se24 -","24","3","","Whitfield, H.J.","The crystal structure of hcc-Cu As Se","Journal of Solid State Chemistry","1981","39","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528627","14.3902","","5.3433","","4.83254","","90","","90","","90","","371.58","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ba Si2 O2 N2","","- Ba N2 O2 Si2 -","- Ba N2 O2 Si2 -","- Ba4 N8 O8 Si8 -","4","0.5","","Kechele, J.A.; Oeckler, O.; Schnick, W.; Stadler, F.","Structure elucidation of Ba Si2 O2 N2 - A host lattice for rare-earth doped luminescent materials in phosphor-converted (pc)-LEDs","Solid State Sciences","2009","11","","537","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528870","28.7058","","16.8493","","16.9376","","90","","90","","90","","8192.25","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Bi38 Mo7 O78 -","- Bi38 Mo7 O78 -","- Bi152 Mo28 O312 -","4","0.5","","Sharma, N.; Chen Yusheng; Christensen, M.; Macquart, R.B.; Avdeev, M.; Ling, C.D.","Structure and crystal chemistry of fluorite-related Bi38 Mo7 O78 from single crystal X-ray diffraction and ab initio calculations","Journal of Solid State Chemistry","2009","182","","1312","1318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529222","12.9805","0.0016","8.4004","0.001","17.069","0.002","90","","90","","90","","1861.2","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-thiobarbiturato-O)-pentaaqua-calcium dihydrate","","- C8 H20 Ca N4 O11 S2 -","- C8 H20 Ca N4 O11 S2 -","- C32 H80 Ca4 N16 O44 S8 -","4","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0396","0.0312","","","0.0807","0.0863","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529268","5.1431","0.0002","18.8195","0.0007","8.1641","0.0003","90","","90","","90","","790.21","0.05","300","","300","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 O8 Rb Sm -","- Mo2 O8 Rb Sm -","- Mo8 O32 Rb4 Sm4 -","4","0.5","","Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh.","Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2","Materials Letters","2013","106","0","26","","10.1016/j.matlet.2013.04.039","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.82","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529358","9.537","0.003","6.865","0.002","17.12","0.005","90","","90","","90","","1120.9","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 N8 O5 Zn -","- C6 H8 N8 O5 Zn -","- C24 H32 N32 O20 Zn4 -","4","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0568","0.0393","","","0.0867","0.0944","","","","","","1.19","","","","has coordinates","152927","2020-10-21","18:00:00",""
"1529436","5.1772","0.0001","18.7293","0.0004","8.2474","0.0001","90","","90","","90","","799.71","0.02","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 Nd O8 Rb -","- Mo2 Nd O8 Rb -","- Mo8 Nd4 O32 Rb4 -","4","0.5","","V.V. Atuchin; O.D. Chimitova; T.A. Gavrilova; M.S. Molokeev; Sung-Jin Kim; N.V. Surovtsev; B.G. Bazarov","Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)2","Journal of Crystal Growth","2011","318","1","683","686","10.1016/j.jcrysgro.2010.09.076","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529763","8.675","","8.123","","15.786","","90","","90","","90","","1112.39","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Hg Cl2 (C H5 N3 S)2","","- C2 H10 Cl2 Hg N6 S2 -","- C2 H10 Cl2 Hg N6 S2 -","- C8 H40 Cl8 Hg4 N24 S8 -","4","0.5","","Chieh, C.","Synthesis and structure of dichlorobis(thiosemicarbazide) Mercury(II)","Canadian Journal of Chemistry","1977","55","","1583","1587","","","","","","","","","","","","","","","","","","","","","","has coordinates","186643","2020-10-21","18:00:00",""
"1529765","8.825","","8.587","","15.939","","90","","90","","90","","1207.86","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(S C N H2 N H N H2)2 Hg Br2","","- C2 H10 Br2 Hg N6 S2 -","- C2 H10 Br2 Hg N6 S2 -","- C8 H40 Br8 Hg4 N24 S8 -","4","0.5","","Chieh, C.; Lee, L.P.C.; Chiu, C.","Thiosemicarbazide complexes of mercury(II) halides","Canadian Journal of Chemistry","1978","56","","2526","2529","","","","","","","","","","","","","","","","","","","","","","has coordinates","186643","2020-10-21","18:00:00",""
"1530007","16.15","","6.252","","6.298","","90","","90","","90","","635.908","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K H3 (Se O3)2","","- H3 K O6 Se2 -","- K O6 Se2 -","- K4 O24 Se8 -","4","0.5","","Gorbatyii, L.V.; Ponomarev, V.I.; Heiker, D.M.","About the crystal structures of the trihydroselenates of potassium K H3 (Se O3)2 and of sodium Na H3 (Se O3)2","Kristallografiya","1971","16","","899","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530026","4.5318","","5.5019","","4.9063","","90","","90","","90","","122.331","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Ti O2","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.5","","Grey, I.E.; Braunshausen, G.; Li, C.; Madsen, I.C.","Ti O2-II. Ambient pressure and structure refinement","Materials Research Bulletin","1988","23","","743","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530063","4.6496","","5.6181","","5.0058","","90","","90","","90","","130.761","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Fe (Nb O4)","","- Fe Nb O4 -","- Fe Nb O4 -","- Fe2 Nb2 O8 -","2","0.25","","Harrison, W.T.A.; Cheetham, A.K.","Structural and Magnetic Properties of Fe Nb O4-II","Materials Research Bulletin","1989","24","","523","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530113","5.227","","13.861","","11.774","","90","","90","","90","","853.043","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na2 Fe (P O4) (O H)","","- Fe H Na2 O5 P -","- Fe Na2 O5 P -","- Fe8 Na16 O40 P8 -","8","1","","Kabalov, Yu.K.; Belov, N.V.; Simonov, M.A.","The crystal structure of sodium iron orthophosphate Na2 Fe (P O4) (O H)","Doklady Akademii Nauk SSSR","1974","215","","850","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530184","10.192","","8.037","","7.844","","90","","90","","90","","642.526","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 Al F5 (H2 O)","","- Al F5 H10 N2 O -","- Al F5 H10 N2 O -","- Al4 F20 H40 N8 O4 -","4","0.5","","Knop, O.; Cameron, T.S.; Deraniyagala, S.P.; Adhikesavalu, D.; Falk, M.","... Part XIII. Crystal structure of (N H4)2 (Al F5 (H2 O)) and N H3 D+ probe-ion spectra in (N H4)2 (Al F5 (H2 O)), N H4 Al F4 and (N H4)3 Zn Cl5 with remarks on structural filiation of AMF4 fluorides","Canadian Journal of Chemistry","1985","63","","516","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530306","14.366","","5.48","","5.148","","90","","90","","90","","405.28","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Yb Ti2 O5 F","","- F O5 Ti2 Yb -","- F O5 Ti2 Yb -","- F4 O20 Ti8 Yb4 -","4","0.5","","Lobkovskaya, R.M.; Shcherbakova, L.G.; Kaminskii, V.F.; Sukhanova, G.E.; Kolesnikov, A.V.; Shibaeva, R.P.","Synthesis and Crystal Structure of Yb Ti2 O5 F","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1984","20","","873","876","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530409","5.096","","11.923","","5.399","","90","","90","","90","","328.041","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li Nd Ge O4","","- Ge Li Nd O4 -","- Ge Li Nd O4 -","- Ge4 Li4 Nd4 O16 -","4","0.5","","Merinov, B.V.; Maksimov, B.A.; Dem'yanets, L.N.; Belov, N.V.","Crystal structure of Li Nd Ge O4","Doklady Akademii Nauk SSSR","1980","250","","357","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530585","12.3742","","8.867","","8.951","","90","","90","","90","","982.122","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zr2 (P O4)2 (S O4)","","- O12 P2 S Zr2 -","- O12 P2.01 S0.99 Zr2 -","- O48 P8.04 S3.96 Zr8 -","4","0.5","","Piffard, Y.; Verbaere, A.; Kinoshita, M.","beta- Zr2 (P O4)2 (S O4): A zirconium phosphato-sulfate with a Sc2 (W O4)3 structure. A comparison between garnet, Nasicon and Sc2 (W O4)3 structure types","Journal of Solid State Chemistry","1987","71","","121","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530782","12.575","","9.051","","9.138","","90","","90","","90","","1040.05","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li Lu (S O4)2","","- Li Lu O8 S2 -","- Li Lu O8 S2 -","- Li6 Lu6 O48 S12 -","6","0.75","","Sirotinkin, S.P.; Pokrovskii, A.N.; Kovba, L.M.","Crystal structures of certain double and simple rare earth sulfates","Kristallografiya","1981","26","","385","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530783","12.442","","9.001","","9.837","","90","","90","","90","","1101.65","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Er2 (S O4)3","","- Er2 O12 S3 -","- Er2 O12 S3 -","- Er8 O48 S12 -","4","0.5","","Sirotinkin, S.P.; Pokrovskii, A.N.; Kovba, L.M.","Crystal structures of certain double and simple rare earth sulfates","Kristallografiya","1981","26","","385","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","155988","2020-10-21","18:00:00",""
"1530802","10.33","","8.054","","7.908","","90","","90","","90","","657.928","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 (Ga F5 (H2 O))","","- F5 Ga H10 N2 O -","- F5 Ga H10 N2 O -","- F20 Ga4 H40 N8 O4 -","4","0.5","","Soldatov, E.N.; Tananaev, I.V.; Vorotilina, T.B.; Ilyukhin, V.V.; Kuz'min, E.A.; Drozdov, Yu.N.","Crystal structure of ammonium monoaquapentafluorogallate (N H4)2 Ga F5 * H2 O","Doklady Akademii Nauk SSSR","1978","241","","357","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530893","12.8947","","9.4957","","9.3477","","90","","90","","90","","1144.57","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 Fe2 (Mo O4)3","","- Fe2 Li2 Mo3 O12 -","- Fe2 Li2 Mo3 O12 -","- Fe8 Li8 Mo12 O48 -","4","0.5","","Torardi, C.C.; Prince, E.","Structure of the lithium insertion compound Li2 Fe2 (Mo O4)3 from neutron powder diffraction data","Materials Research Bulletin","1986","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","156123","2020-10-21","18:00:00",""
"1530900","13.004","","9.268","","8.873","","90","","90","","90","","1069.38","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Cu S O4 (C O (N H2)2 )3","","- C3 H12 Cu N6 O7 S -","- C3 H12 Cu N6 O7 S -","- C12 H48 Cu4 N24 O28 S4 -","4","0.5","","Treushnikov, E.N.; Kuskov, V.I.; Belov, N.V.","X-ray structural study of the electron structure of cupric sulfate tricarbamide Cu S O4 * 3C O (N H2)2","Kristallografiya","1977","22","","994","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530923","8.613","","8.996","","19.929","","90","","90","","90","","1544.15","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","K4 Sb2 F7 (N O3)3","","- F7 K4 N3 O9 Sb2 -","- F7 K4 N3 O9 Sb2 -","- F28 K16 N12 O36 Sb8 -","4","0.5","","Udovenko, A.A.; Volkova, L.M.; Simonov, M.A.; Davidovich, R.L.","Crystal structure of di- and trinitratoheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","156156","2020-10-21","18:00:00",""
"1530959","5.074","","18.253","","5.437","","90","","90","","90","","503.552","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na2 W O2 F4","","- F4 Na2 O2 W -","- F4 Na2 O2 W -","- F16 Na8 O8 W4 -","4","0.5","","Vlasse, M.; Moutou, J.M.; Cervera-Marzal, M.; Chaminade, J.P.; Hagenmuller, P.","Structure de Na2 W O2 F4","Revue de Chimie Minerale","1982","19","","58","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531016","4.948","","5.951","","5.497","","90","","90","","90","","161.862","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Pb O2","","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.5","","Zaslavskii, A.I.; Kondrashev, Yu.D.; Tolkachev, S.S.","The new modification of lead dioxide and the texture of anode sediments","Doklady Akademii Nauk SSSR","1950","75","","559","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531208","14.5342","","5.5584","","5.1952","","90","","90","","90","","419.704","","","","","","","","","","","","","12","P b c n","-P 2n 2ab","60","","(Y0.50 Dy0.25 Th0.157 U0.056 Ca0.012) (Ti1.605 Nb0.335 Ta0.05 W0.014 Fe0.018) O5.72 (O H)0.28","","- Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 -","- Ca0.012 Dy0.251 Fe0.018 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.499 -","- Ca0.048 Dy1.004 Fe0.072 Nb1.34 O24 Ta0.2 Th0.628 Ti6.42 U0.224 W0.056 Y1.996 -","4","0.5","","Bonazzi, P.; Zoppi, M.; Dei, L.","Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation","European Journal of Mineralogy (1,1989-)","2002","14","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531559","34.3163","","7.8918","","15.9558","","90","","90","","90","","4321.11","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Sr10 Ga6 O19","","- Ga6 O19 Sr10 -","- Ga6 O19 Sr10 -","- Ga48 O152 Sr80 -","8","1","","Kahlenberg, V.","beta-(Sr10 Ga6 O19): an oxygen deficient perovskite containing (Ga6 O19)-polyanions","Solid State Sciences","2002","4","","183","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","157051","2020-10-21","18:00:00",""
"1531861","10.991","","8.905","","5.495","","90","","90","","90","","537.822","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ru2 Si3 -","- Ru2 Si3 -","- Ru16 Si24 -","8","1","","Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E.","Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3","Physica Status Solidi, Sectio B: Basic Research","2002","231","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531867","11.333","","9.158","","5.658","","90","","90","","90","","587.23","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Ru2 Ge3","","- Ge3 Ru2 -","- Ge3 Ru2 -","- Ge24 Ru16 -","8","1","","Migas, D.B.; Borisenko, V.E.; Miglio, L.; Shaposhnikov, V.L.","Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3","Physica Status Solidi, Sectio B: Basic Research","2002","231","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","157449","2020-10-21","18:00:00",""
"1531873","11.094","","8.927","","5.551","","90","","90","","90","","549.75","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Os2 Si3 -","- Os2 Si3 -","- Os16 Si24 -","8","1","","Migas, D.B.; Miglio, L.; Borisenko, V.E.; Shaposhnikov, V.L.","Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3","Physica Status Solidi, Sectio B: Basic Research","2002","231","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531878","11.407","","9.19","","5.709","","90","","90","","90","","598.476","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Os2 Ge3","","- Ge3 Os2 -","- Ge3 Os2 -","- Ge24 Os16 -","8","1","","Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E.","Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3","Physica Status Solidi, Sectio B: Basic Research","2002","231","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","157461","2020-10-21","18:00:00",""
"1532121","6.6428","","4.6003","","4.9263","","90","","90","","90","","150.542","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe8 O12 -","4","0.5","","Rozenberg, G.Kh.; Naaman, O.; Dubrovinskii, L.S.; Ahuja, R.; Le Bihan, T.; Pasternak, M.P.","High-pressure structural studies of hematite Fe2 O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","064112-1","064112-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532146","7.235","0.002","41.244","0.013","21.816","0.007","90","","90","","90","","6510","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","a10315c","","- C24 H12 N6 O6 -","- C24 H12 N6 O6 -","- C192 H96 N48 O48 -","8","1","","Zhan, Tian-Guang; Zhou, Tian-You; Qi, Qiao-Yan; Wu, Jian; Li, Guang-Yu; Zhao, Xin","The construction of supramolecular polymers through anion bridging: from frustrated hydrogen-bonding networks to well-ordered linear arrays","Polym. Chem.","2015","6","43","7586","","10.1039/C5PY01284H","","","0.71073","MoKα","","0.1998","0.0662","","","0.1531","0.1945","","","","","","0.665","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532168","5.223","","13.818","","11.749","","90","","90","","90","","847.942","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na2 Mg (P O4) F","","- F Mg Na2 O4 P -","- F Mg Na2 O4 P -","- F8 Mg8 Na16 O32 P8 -","8","1","","Swafford, S.H.; Holt, E.M.","New synthetic approaches to monophosphate fluoride ceramics: synthesis and structural characterization of Na2 Mg (P O4) F and Sr5 (P O4)3 F","Solid State Sciences","2002","4","","807","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532231","17.149","","7.412","","6.667","","90","","90","","90","","847.432","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ca Zn2 (P O4)2 (H2 O)2","","- Ca H4 O10 P2 Zn2 -","- Ca O10 P2 Zn2 -","- Ca4 O40 P8 Zn8 -","4","0.5","","Taxer, K.J.","Die Kristallstruktur des Minerals Scholzit","Naturwissenschaften","1971","58","","192","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532756","14.136","","5.681","","5.042","","90","","90","","90","","404.906","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Mg0.857 Ti0.143) (Nb0.857 Ti0.143)2 O6","","- Mg0.857 Nb1.714 O6 Ti0.429 -","- Mg0.857 Nb1.714 O6 Ti0.429 -","- Mg3.428 Nb6.856 O24 Ti1.716 -","4","0.5","","Bruno, J.C.; Cavalheiro, A.A.; Zaghete, M.A.; Varela, J.A.; Cilense, M.","Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders","Materials Chemistry and Physics","2004","84","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158734","2020-10-21","18:00:00",""
"1532785","7.9372","","12.786","","7.4249","","90","","90","","90","","753.516","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 (U O2) (W O4)2","","- Li2 O10 U W2 -","- Li2.01 O10 U W2 -","- Li8.04 O40 U4 W8 -","4","0.5","","Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F.","Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology","Journal of Solid State Chemistry","2004","177","","1681","1694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532829","14.174","","5.692","","5.065","","90","","90","","90","","408.636","","","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","(Nb1.578 Sn0.015 Ta0.078 W0.044 Sc0.047 Ti0.335 Mn0.067 Fe0.794) O6","","- Fe0.794 Mn0.067 Nb1.578 O6 Sc0.047 Sn0.015 Ta0.078 Ti0.335 W0.044 -","- Fe0.795 Mn0.067 Nb1.578 O6 Sc0.047 Sn0.015 Ta0.078 Ti0.335 W0.043 -","- Fe3.18 Mn0.268 Nb6.312 O24 Sc0.188 Sn0.06 Ta0.312 Ti1.34 W0.172 -","4","0.5","","Okrusch, M.; Brummer, A.; Hock, R.; Schuessler, U.; Baier, M.; Theisinger, H.","Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: an electron-microprobe and Rietveld study","American Mineralogist","2003","88","","986","995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533491","4.57","","5.742","","5.026","","90","","90","","90","","131.887","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","V2 C","","- C V2 -","- C V2 -","- C4 V8 -","4","0.5","","Arbuzov, M.P.; Khaenko, B.V.; Fak, V.G.","Investigation of the Rhombic Modification of Carbide, V2 C","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1977","1977","","153","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533881","4.567","","5.744","","5.026","","90","","90","","90","","131.846","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","V2 C","","- C V2 -","- C V2 -","- C4 V8 -","4","0.5","","Khaenko, B.V.","X-ray study of the crystal structure of carbide V2 C rhombic modification","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1979","41","","387","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533962","7.0423","","9.8989","","9.4281","","90","","90","","90","","657.243","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Pb (Al B O4)","","- Al B O4 Pb -","- Al B O4 Pb -","- Al8 B8 O32 Pb8 -","8","1","","Park Hyun-Soo; Barbier, J.; Hammond, R.P.","Crystal structure and polymorphism of Pb Al B O4","Solid State Sciences","2003","5","","565","571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534038","21.212","","9.216","","9.657","","90","","90","","90","","1887.84","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Cs (Cu (B10 H10))","","- B10 Cs Cu H10 -","- B10 Cs Cu H10 -","- B80 Cs8 Cu8 H80 -","8","1","","Polyakova, I.N.; Malinina, E.A.; Kuznetsov, N.T.","Crystal structures of cesium and dimethylammonium cupradecaborates, Cs (Cu B10 H10) and (C H3)2 N H2 (Cu B10 H10)","Kristallografiya","2003","48","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534505","8.156","","13.129","","10.958","","90","","90","","90","","1173.38","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na Rb (Sn F6)","","- F6 Na Rb Sn -","- F6 Na Rb Sn -","- F48 Na8 Rb8 Sn8 -","8","1","","Gerasimenko, A.V.; Ivanov, S.B.; Sergienko, V.I.; Antokhina, T.F.","Crystal structures of Na Rb Sn F6 and Na Cs Sn F6.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","1139","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534509","8.352","","13.389","","11.206","","90","","90","","90","","1253.11","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na Cs (Sn F6)","","- Cs F6 Na Sn -","- Cs F6 Na Sn -","- Cs8 F48 Na8 Sn8 -","8","1","","Gerasimenko, A.V.; Ivanov, S.B.; Antokhina, T.F.; Sergienko, V.I.","Crystal structures of NaRbSnF6 and NaCsSnF6.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","1139","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534667","6.867","","12.588","","7.5015","","90","","90","","90","","648.443","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ba (Pd Cl4)","","- Ba Cl4 Pd -","- Ba Cl4 Pd -","- Ba4 Cl16 Pd4 -","4","0.5","","Assoud, A.; Meyer, G.","Ein neues Chloropalladat(II): Ba Pd Cl4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1246","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535040","13.86882","","9.93488","","10.02158","","90","","90","","90","","1380.82","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Y2 (Mo O4)3","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo12 O48 Y8 -","4","0.5","","Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R.","Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12","Solid State Sciences","2005","7","","1377","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","162167","2020-10-21","18:00:00",""
"1535233","23.8579","","6.4875","","13.3992","","90","","90","","90","","2073.9","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 Ag6 Sn3 S10","","- Ag6 H8 N2 S10 Sn3 -","- Ag6 N2 S10 Sn3 -","- Ag24 N8 S40 Sn12 -","4","0.5","","Baiyin, Menghe; Ye, Ling; An, Yonglin; Liu, Xin; Jia, Cuiying; Ning, Guiling","A solvothermal synthesis and the structure of (NH~4~)~2~Ag~6~Sn~3~S~10~","Bulletin of the Chemical Society of Japan","2005","78","7","1283","1284","10.1246/bcsj.78.1283","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535550","10.583","","15.209","","10.794","","90","","90","","90","","1737.37","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Pb (H F) (As F6)2","","- As2 F13 H Pb -","- As2 F13 H Pb -","- As16 F104 H8 Pb8 -","8","1","","Tramsek, M.; Lork, E.; Zemva, B.; Mews, R.","Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V)","Journal of Fluorine Chemistry","2001","110","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535687","12.9266","","4.3711","","8.8763","","90","","90","","90","","501.542","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dy4 (B6 O14 (O H)2)","","- B6 Dy4 H2 O16 -","- B6 Dy4 O16 -","- B12 Dy8 O32 -","2","0.25","","Huppertz, H.","Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2","Journal of Solid State Chemistry","2004","177","","3700","3708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535691","12.9278","","4.362","","8.8713","","90","","90","","90","","500.262","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ho4 (B6 O14 (O H)2)","","- B6 H2 Ho4 O16 -","- B6 Ho4 O16 -","- B12 Ho8 O32 -","2","0.25","","Huppertz, H.","Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2","Journal of Solid State Chemistry","2004","177","","3700","3708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535839","68.81","","13.635","","6.508","","90","","90","","90","","6105.96","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F220 K88 Sb44 -","44","5.5","","Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.","X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.","Kristallografiya","1992","37","","735","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536520","6.4899","","15.374","","6.8237","","90","","90","","90","","680.84","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ba Zn Cl4","","- Ba Cl4 Zn -","- Ba Cl4 Zn -","- Ba4 Cl16 Zn4 -","4","0.5","","Wickleder, C.","Crystal structure, thermal behavior, and luminescence of Ba Zn Cl4 - II : Sm(2+) and comparison to Ba Zn Cl4 - I : Sm(2+)","Journal of Solid State Chemistry","2001","162","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536559","17.215","","13.5405","","26.339","","90","","90","","90","","6139.61","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Te2 O2 (O H)6 (O Na)2)2 (Na O H (H2 O)12.5)","","- H12 Na5 O33.5 Te4 -","- H12 Na5 O33.5 Te4 -","- H96 Na40 O268 Te32 -","8","1","","Driess, M.; Merz, K.; Rowlings, R.B.","Orthotelluric acid as substitute for crystal-water: syntheses and crystal structure of the co-crystallate (Te (O H)6 . 2 adenine . 4(H2 O)) and the disodium ditellurate(VI) aggregate ((Te2 O2 (O H)6 (O Na)2)2 (Na O H . 12.5(H2 O)))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","213","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","164310","2020-10-21","18:00:00",""
"1536726","11.082","","15.335","","10.601","","90","","90","","90","","1801.56","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Rb3 As11","","- As11 Rb3 -","- As11 Rb3 -","- As44 Rb12 -","4","0.5","","Emmerling, F.; Roehr, C.","Die Undecaarsenide A3 As11 (A = Rb, Cs) - Synthesen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","467","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","164556","2020-10-21","18:00:00",""
"1536832","12.436","","15.682","","12.072","","90","","90","","90","","2354.3","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","K3 (Ir Cl6) H2 O","","- Cl6 H2 Ir K3 O -","- Cl6 Ir K3 O -","- Cl48 Ir8 K24 O8 -","8","1","","Rankin, D.A.","The chloro and bromo complexes of iridium(III) and iridium(IV). II. Structural chemistry of Ir(III) complexes","Australian Journal of Chemistry","1983","36","","771","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536979","14.495","","9.216","","10.675","","90","","90","","90","","1426.03","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","((U O2) (H2 O)5) (Cl O4)2 (H2 O)2","","- Cl2 H14 O17 U -","- Cl2 O17 U -","- Cl8 O68 U4 -","4","0.5","","Fischer, A.","Competitive coordination of the uranyl ion by perchlorate and water - the crystal structures of U O2 (Cl O4)2 * 3(H2 O) and U O2 (Cl O4)2 * 5(H2 O) and a redetermination of U O2 (Cl O4)2 * 7(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1012","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537384","11.87","","10.47","","10.39","","90","","90","","90","","1291.26","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na4 Xe O6 (H2 O)8","","- H16 Na4 O14 Xe -","- Na4 O14 Xe -","- Na16 O56 Xe4 -","4","0.5","","Hamilton, W.C.; Ibers, J.A.; MacKenzie, D.R.","Geometry of the Perxenate Ion","Science","1963","141","","532","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537386","4.758","","5.61","","5.072","","90","","90","","90","","135.384","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Hf Ti O4","","- Hf O4 Ti -","- Hf O4 Ti -","- Hf2 O8 Ti2 -","2","0.25","","Harari, A.; Huber, M.; Bocquet, J.P.; Collongues, R.","Structure cristalline de l'oxyde mixte Hf Ti O4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","267","","1316","1318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537545","6.797","","10.617","","6.3","","90","","90","","90","","454.632","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mn (Se2 O5)","","- Mn O5 Se2 -","- Mn O5 Se2 -","- Mn4 O20 Se8 -","4","0.5","","Koskenlinna, M.; Niinisto, L.; Valkonen, J.","The crystal structure of manganese(II) diselenite","Acta Chemica Scandinavica, Series A: (28,1974-)","1976","30","","836","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538358","4.806","","5.447","","5.032","","90","","90","","90","","131.729","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Zr (Ti O4)","","- O4 Ti Zr -","- O4 Ti Zr -","- O8 Ti2 Zr2 -","2","0.25","","Newnham, R.E.","Crystal structure of Zr Ti O4","Journal of the American Ceramic Society","1967","50","","216","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539125","6.703","","14.982","","14.092","","90","","90","","90","","1415.18","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na3 H F2 Nb F5 O2","","- F7 H Na3 Nb O2 -","- F7 H Na3 Nb O2 -","- F56 H8 Na24 Nb8 O16 -","8","1","","Stomberg, R.","The Crystal Structure of Trisodium Pentafluoroperoxoniobate(V) Hydrogendifluoride, Na3 (H F2) (Nb F5 (O2))","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","389","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539224","11.436","","9.24","","5.718","","90","","90","","90","","604.213","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ge3 Ru2 -","- Ge3 Ru2 -","- Ge24 Ru16 -","8","1","","Voellenkle, H.","Die Kristallstruktur von Ru2 Ge3","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1974","105","","1217","1227","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539301","4.7471","","5.7438","","5.148","","90","","90","","90","","140.367","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","(Mn0.33 Ta0.67) O2","","- Mn0.33 O2 Ta0.67 -","- Mn0.33 O2 Ta0.67 -","- Mn1.32 O8 Ta2.68 -","4","0.5","","Tarakina, N.V.; Tyutyunnik, A.P.; Zubkov, V.G.; D'yachkova, T.V.; Swensson, G.; Sayagues, M.; Zainulin, Yu.G.","New phases in the Mn O - Nb (Ta)2 O5 system prepared by high-pressure high-temperature technique","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2003","44","","286","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","168156","2020-10-21","18:00:00",""
"1539497","10.089","","6.186","","6.152","","90","","90","","90","","383.95","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","K2 Cd O2","","- Cd K2 O2 -","- Cd K2 O2 -","- Cd4 K8 O8 -","4","0.5","","Vielhaber, E.; Hoppe, R.","Ueber Oxocadmate: Die Kristallstruktur von K2 Cd O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539609","14.51","","5.558","","5.173","","90","","90","","90","","417.185","","","","","","","","","","","","","8","P b c n","-P 2n 2ab","60","","(U0.46 Y0.42 Th0.06 Mn0.06) (Ta0.16 Ti0.96 Nb0.84) O6","","- Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 -","- Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 -","- Mn0.24 Nb3.36 O24 Ta0.64 Th0.24 Ti3.84 U1.84 Y1.68 -","4","0.5","","Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N.","Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure","European Journal of Mineralogy (1,1989-)","1993","5","","1161","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","168567","2020-10-21","18:00:00",""
"1539795","4.735","","6.025","","5.21","","90","","90","","90","","148.633","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Mo2 C","","- C Mo2 -","- C Mo2 -","- C4 Mo8 -","4","0.5","","Epicier, T.; Dubois, J.; Esnouf, C.; Fantozzi, G.; Convert, P.","Neutron powder diffraction studies of transition metal hemicarbides M2 C1-x - II. In situ high temperature study on W2 C1-x and Mo2 C1-x","Acta Metallurgica","1988","36","","1903","1921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540281","12.344","","22.434","","13.924","","90","","90","","90","","3855.91","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Cs2 (Gd10 (C2)2) Cl19","","- C4 Cl19 Cs2 Gd10 -","- C4 Cl19 Cs2 Gd10 -","- C16 Cl76 Cs8 Gd40 -","4","0.5","","Liess, H.; Steffen, F.; Meyer, G.","Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20","Journal of Alloys Compd.","1997","246","","242","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","169531","2020-10-21","18:00:00",""
"1540848","14.317","","5.74","","5.067","","90","","90","","90","","416.404","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Fe (Nb1.54 Ta.46) O6","","- Fe Nb1.54 O6 Ta0.46 -","- Fe Nb1.54 O6 Ta0.46 -","- Fe4 Nb6.16 O24 Ta1.84 -","4","0.5","","Wenger, M.; Armbruster, T.","Columbite (Fe,Mn)(Nb,Ta)2O6 in the pegmatites of the calc-alkine Bergell intrusion (southeast Central Alps)","Schweizerische Mineralogische und Petrographische Mitteilungen","1991","71","","349","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540849","9.828","","12.466","","10.41","","90","","90","","90","","1275.39","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Na3 P11 -","- Na3 P11 -","- Na12 P44 -","4","0.5","","Wichelhaus, W.; von Schnering, H.G.","Na3 P11, ein Phosphid mit isolierten (P11)(3-) - Gruppen","Naturwissenschaften","1973","60","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541634","15.096","","13.375","","23.734","","90","","90","","90","","4792.11","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)4 (S2 Mo5 O21) (H2 O)3","","- H22 Mo5 N4 O24 S2 -","- Mo5 N4 O24 S2 -","- Mo40 N32 O192 S16 -","8","1","","Matsumoto, Kazuko Y.; Kato, Masao; Sasaki, Yukiyoshi","The Crystal Structure of Ammonium Pentamolybdodisulfate(IV) (4-) Trihydrate (NH~4~)~4~[S^IV^2Mo~5~O~21~]·3H~2~O","Bulletin of the Chemical Society of Japan","1976","49","1","106","110","10.1246/bcsj.49.106","","","","","","","","","","","","","","","","","","","","","has coordinates","176253","2020-10-21","18:00:00",""
"1541755","22.346","","13.541","","12.86","","90","","90","","90","","3891.27","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","K ((C F3)2 (S O2)2 N)","","- C2 F6 K N O4 S2 -","- C2 F6 K N O4 S2 -","- C32 F96 K16 N16 O64 S32 -","16","2","","Xue, L.-X.; Padgett, C.W.; DesMarteau, D.D.; Pennington, W.T.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542162","9.03","","7.68","","15.15","","90","","90","","90","","1050.66","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cu Hg (S C N)4","","- C4 Cu Hg N4 S4 -","- C4 Cu Hg N4 S4 -","- C16 Cu4 Hg4 N16 S16 -","4","0.5","","Porai-Koshits, M.A.","Structural Features of Crystals of Some Rhodanide Compounds with Divalent Nickel and Copper","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","584","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542263","15.9195","0.0004","13.7674","0.0003","17.3771","0.0004","90","","90","","90","","3808.54","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24.5 H17 Cl N O S0.5 -","- C24.5 H17 Cl N O S0.5 -","- C196 H136 Cl8 N8 O8 S4 -","8","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1459","0.1522","","","","","","1.056","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542387","14.614","0.003","12.706","0.003","13.842","0.003","90","","90","","90","","2570.3","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H16 N4 O5 -","- C10 H13 N4 O5 -","- C80 H104 N32 O40 -","8","1","","Zheng, Jing; Qi, Jifeng; Cui, Sunliang","Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.","Organic letters","2016","18","1","128","131","10.1021/acs.orglett.5b03317","","","0.71073","MoKα","","0.0953","0.078","","","0.2131","0.2419","","","","","","1.05","","","","has coordinates,has disorder","175747","2020-10-21","18:00:00",""
"1542463","16.1061","0.0019","19.891","0.002","15.254","0.003","90","","90","","90","","4886.9","1.2","100","","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","","- C48 H40 Mo4 O16 P4 -","- C48 H40 Mo4 O16 P4 -","- C192 H160 Mo16 O64 P16 -","4","0.5","SJ4007","Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","IUCrData","2016","1","1","x160036","","10.1107/S2414314616000365","","","0.71073","MoKα","","0.0524","0.0386","","","0.078","0.09","","","","","","1.272","","","","has coordinates,has Fobs","177511","2020-10-21","18:00:00",""
"1542544","12.335","0.004","21.047","0.008","7.89","0.003","90","","90","","90","","2048.4","1.3","253","2","253","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng","High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.","Chemical communications (Cambridge, England)","2016","52","28","4991","4994","10.1039/c6cc00366d","","","1.54178","CuKα","","0.0551","0.0514","","","0.1247","0.1292","","","","","","1.055","","","","has coordinates,has disorder","181569","2020-10-21","18:00:00",""
"1542568","29.6046","0.0008","11.8388","0.0004","17.1781","0.0004","90","","90","","90","","6020.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H30 N4 S3 -","- C38 H30 N4 S3 -","- C304 H240 N32 S24 -","8","1","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71073","MoKα","","0.1147","0.0512","","","0.1337","0.1985","","","","","","1.072","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542592","11.0983","0.0014","34.992","0.005","32.965","0.004","90","","90","","90","","12802","3","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","doubly 10,12- and 18,20-phenylene-fused meso-nitoroporphyrin","","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C516 H544 Cl60 N40 Ni8 O16 -","8","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1107","0.0921","","","0.2589","0.2889","","","","","","1.047","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542892","10.3027","0.0004","14.2644","0.0006","18.1624","0.0007","90","","90","","90","","2669.18","0.18","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Fe(5-Br-salEen)2]ClO4","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.0309","0.0231","","","0.0575","0.061","","","","","","1.044","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542893","11.931","0.003","12.17","0.003","19.166","0.005","90","","90","","90","","2782.9","1.2","297","2","297","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.1583","0.1001","","","0.2984","0.3515","","","","","","1.098","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1543669","28.5686","0.001","10.069","0.0004","7.7705","0.0003","90","","90","","90","","2235.24","0.15","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","0.5","","Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang","Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes.","Organic letters","2016","18","15","3618","3621","10.1021/acs.orglett.6b01659","","","1.54184","CuKα","","0.0589","0.0546","","","0.1486","0.1557","","","","","","1.049","","","","has coordinates","187957","2020-10-21","18:00:00",""
"1543783","18.1927","0.0018","14.0509","0.0014","21.446","0.002","90","","90","","90","","5482.1","0.9","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H36 Cl2 N6 Ni P2 -","- C17 H36 Cl2 N6 Ni P2 -","- C136 H288 Cl16 N48 Ni8 P16 -","8","1","","Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.","Organic letters","2016","18","13","3186","3189","10.1021/acs.orglett.6b01398","","x-ray","0.71073","MoKα","","0.08","0.0533","","","0.0505","0.0536","","","","2.42","2.42","2.13","","","","has coordinates","184872","2020-10-21","18:00:00",""
"1543809","4.4192","0.0003","33.029","0.002","27.3541","0.0019","90","","90","","90","","3992.7","0.5","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H42 O2 S8 -","- C40 H42 O2 S8 -","- C160 H168 O8 S32 -","4","0.5","","Khadem, Mohammadreza; Walsh, Joshua C.; Bodwell, Graham J.; Zhao, Yuming","A Macrocyclization of 1,8-Bis(dithiafulvenyl)pyrenes.","Organic letters","2016","18","10","2403","2406","10.1021/acs.orglett.6b00894","","","0.71075","MoKα","","0.199","0.0915","","","0.2437","0.3251","","","","","","1.012","","","","has coordinates","184892","2020-10-21","18:00:00",""
"1543884","7.5362","0.0002","15.1084","0.0004","14.5384","0.0004","90","","90","","90","","1655.34","0.08","102","2","102","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetra[dimethyloxyboryl]methane","Octamethyl methanetetrayltetraboronate","","- C9 H24 B4 O8 -","- C9 H24 B4 O8 -","- C36 H96 B16 O32 -","4","0.5","RZ4004","Liu, Sumeng; Girolami, Gregory S.","Tetrakis(dimethoxyboryl)methane","IUCrData","2016","1","8","x161264","","10.1107/S2414314616012645","","","1.54178","CuKα","","0.0397","0.037","","","0.0978","0.0998","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","185788","2020-10-21","18:00:00",""
"1543950","6.6224","0.0002","13.9772","0.0005","13.0407","0.0004","90","","90","","90","","1207.08","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H12 Cd Cu O12 -","- C6 H12 Cd Cu O12 -","- C24 H48 Cd4 Cu4 O48 -","4","0.5","","V.S. Dhanya; M.R. Sudarsanakumar; S. Suma; M.R. Prathapachandra Kurup; Maheswaran Sithambaresan; Sunalya M. Roy; Shibu M. Eapen","Spectral, thermal, structural and microhardness studies of tetraaquabis(malonato)cadmium(II)copper(II): A new three-dimensional heterobimetallic framework system","Inorganica Chimica Acta","2014","","","367","371","10.1016/j.ica.2013.09.026","","","0.71073","MoKα","","0.0179","0.0162","","","0.0432","0.0455","","","","","","1.154","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543991","7.9399","0.0004","20.8101","0.0007","19.6719","0.0006","90","","90","","90","","3250.4","0.2","290.92","0.1","290.92","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C44 H28 O4 -","- C44 H28 O4 -","- C176 H112 O16 -","4","0.5","","Zhu, Hai-Tao; Ke, Sen; Zhou, Ni-Ni; Fan, Ming-Jin; Yang, De-Suo","Regioselective Intermolecular [2 + 2]-Cycloaddition of α-Iodo-Unsaturated Ketones Promoted by Diisobutylaluminum Hydride.","Organic letters","2016","18","18","4554","4557","10.1021/acs.orglett.6b02195","","","0.71073","MoKα","","0.083","0.0529","","","0.1038","0.1201","","","","","","1.073","","","","has coordinates","187949","2020-10-21","18:00:00",""
"1544136","12.0454","0.0006","19.9342","0.0012","15.6271","0.0007","90","","90","","90","","3752.3","0.3","293","2","293.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","a-4","propane-2,2-diylbis(4,1-phenylene) (2Z,2'Z)-bis(3-phenyl-3-(phenylamino)acrylate)","","- C45 H38 N2 O4 -","- C45 H38 N2 O4 -","- C180 H152 N8 O16 -","4","0.5","","He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Cu(i)-Catalyzed amino-yne click polymerization","Polym. Chem.","2016","7","48","7375","","10.1039/C6PY01501H","","","0.71073","MoKα","","0.0777","0.0455","","","0.1089","0.1261","","","","","","1.015","","","","has coordinates","190286","2020-10-21","18:00:00",""
"1544267","14.2357","0.0014","8.2893","0.0008","15.2974","0.0017","90","","90","","90","","1805.2","0.3","115","2","114.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","C6","","- C17 H24 Cl2 Co N4 -","- C17 H24 Cl2 Co N4 -","- C68 H96 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0258","0.0216","","","0.0517","0.054","","","","","","1.06","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1545105","18.0776","0.0006","23.0282","0.0009","16.1926","0.0005","90","","90","","90","","6740.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H49 B5 Cl Ir3 -","- C30 H49 B5 Cl Ir3 -","- C240 H392 B40 Cl8 Ir24 -","8","1","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0899","0.0556","","","0.1158","0.1357","","","","","","1.114","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545119","26.0266","0.0007","27.9405","0.0008","28.5247","0.0008","90","","90","","90","","20743.1","1","173","","172.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Au34(SC6H11)22","","- C132 H242 Au34 S22 -","- C132 H242 Au34 S22 -","- C528 H968 Au136 S88 -","4","0.5","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.0537","0.0494","","","0.1314","0.1353","","","","","","1.05","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545184","13.6966","0.0015","8.3864","0.0009","14.6562","0.0016","90","","90","","90","","1683.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N2 Np -","- C19 H21 N2 Np -","- C76 H84 N8 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0562","0.0237","","","0.0374","0.0431","","","","","","1.053","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545373","10.5217","0.0009","12.6033","0.001","16.7317","0.0015","90","","90","","90","","2218.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H18 B2 F4 N2 O2 -","- C28 H18 B2 F4 N2 O2 -","- C112 H72 B8 F16 N8 O8 -","4","0.5","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","1.54178","CuKα","","0.0857","0.0827","","","0.2133","0.2147","","","","","","1.159","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545542","9.34","0.02","8.79","0.02","5.36","0.02","90","","90","","90","","440","2","","","1373","","","","","","","","","3","P b c n","-P 2n 2ab","60","MgSiO3","","protoenstatite at 1100 C","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Sadanaga, R.; Okamura, F.P.; Takeda, H.","X-ray study of the phase transformations of enstatite :Sample at 1100 C","Mineralogical Journal","1969","6","","110","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","194125","2020-10-21","18:00:00",""
"1546309","29.325","0.016","20.484","0.011","9.653","0.005","90","","90","","90","","5798","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H64 Cl0 Cu N2 O2 S6 -","- C59 H64 Cu N2 O2 S6 -","- C236 H256 Cu4 N8 O8 S24 -","4","0.5","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.1139","0.1134","","","0.326","0.3267","","","","","","1.365","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546406","8.6787","0.0008","23.1736","0.0019","16.1895","0.0014","90","","90","","90","","3256","0.5","298","","298.41","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C45 H38 -","- C45 H38 -","- C180 H152 -","4","0.5","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0708","0.0459","","","0.1008","0.1123","","","","","","1.053","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546455","31.987","0.002","8.6554","0.0006","16.7007","0.0009","90","","90","","90","","4623.8","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H30 B Cl2 N4 P -","- C20 H30 B Cl2 N4 P -","- C160 H240 B8 Cl16 N32 P8 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.05","0.0393","","","0.0927","0.099","","","","","","1.032","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546511","13.372","0.002","10.447","0.001","18.538","0.002","90","","90","","90","","2589.7","0.5","","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H25 F2 Ga5 N4 O17 P4 -","- C10 H24 F2 Ga5 N4 O17 P4 -","- C40 H96 F8 Ga20 N16 O68 P16 -","4","0.5","","Wessels, T.; McCusker, L. B.; Baerlocher, Ch.; Reinert, P.; Patarin, J.","Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-5) prepared in the presence of 1,4,8,11-tetraazacyclotetradecane","Microporous and Mesoporous Materials","1998","23","","67","77","","powder diffraction","x-ray","0.80212","","","","","","","","","0.049","","","","","","","","","has coordinates","198593","2020-10-21","18:00:00",""
"1546972","21.7362","0.0014","30.613","0.0019","25.4472","0.0016","90","","90","","90","","16932.8","1.9","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H131.5 Dy K O13 -","- C91 H131.5 Dy K O13 -","- C728 H1052 Dy8 K8 O104 -","8","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.078","0.0583","","","0.1389","0.1486","","","","","","1.101","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1547166","24.3391","0.0006","8.299","0.0002","35.4906","0.0008","90","","90","","90","","7168.8","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl4 N O2 -","- C46 H31 Cl4 N O2 -","- C368 H248 Cl32 N8 O16 -","8","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.073","0.0551","","","0.1198","0.1272","","","","","","1.099","","","","has coordinates","202794","2020-10-21","18:00:00",""
"1547190","26.252","0.002","7.3051","0.0005","24.0223","0.0018","90","","90","","90","","4606.8","0.6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H17 Cl2 N5 O5 -","- C22 H17 Cl2 N5 O5 -","- C176 H136 Cl16 N40 O40 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0585","","","","0.1531","","","","","","0.961","","","","has coordinates","200930","2020-10-21","18:00:00",""
"1547258","30.699","0.005","8.444","0.005","8.788","0.005","90","","90","","90","","2278","1.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 O7 -","- C24 H24 O7 -","- C96 H96 O28 -","4","0.5","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71072","MoKα","","0.0891","0.0701","","","0.2122","0.231","","","","","","1.053","","","","has coordinates","201077","2020-10-21","18:00:00",""
"1547306","9.49","0.003","11.322","0.004","7.377","0.004","90","","90","","90","","792.6","0.6","90","2","90","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","0.5","","Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C.","Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors","Polym. Chem.","2017","","","","","10.1039/C7PY01373F","","","0.71073","MoKα","","0.099","0.0615","","","0.1135","0.1262","","","","","","1.074","","","","has coordinates","201167","2020-10-21","18:00:00",""
"1547577","13.7489","0.0006","12.7062","0.0005","34.5595","0.0014","90","","90","","90","","6037.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C37 H26 O2 S -","- C37 H26 O2 S -","- C296 H208 O16 S8 -","8","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0974","0.0561","","","0.1262","0.1424","","","","","","1.091","","","","has coordinates","201728","2020-10-21","18:00:00",""
"1547651","19.531","0.001","18.4544","0.0008","9.7999","0.0008","90","","90","","90","","3532.2","0.4","294.84","0.1","294.84","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C96 H96 B16 I16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.2134","0.1632","","","0.4235","0.4661","","","","","","1.551","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1548266","9.3775","0.0015","22.196","0.004","9.432","0.0015","90","","90","","90","","1963.2","0.6","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 B2 N2 O2 -","- C22 H26 B2 N2 O2 -","- C88 H104 B8 N8 O8 -","4","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1309","0.0672","","","0.1783","0.2035","","","","","","0.848","","","","has coordinates,has disorder","203699","2020-10-21","18:00:00",""
"1548273","12.1905","0.0011","14.4177","0.0013","20.4894","0.0019","90","","90","","90","","3601.2","0.6","100.33","0.1","100.33","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H5 Cu N5 O4 -","- C9 H5 Cu N5 O4 -","- C72 H40 Cu8 N40 O32 -","8","1","","Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen","Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures","Nature Communications","2015","6","","7328","","10.1038/ncomms8328","","x-ray","1.54184","CuKα","","0.1106","0.0871","","","0.2303","0.2569","","","","","","0.961","","","","has coordinates","203706","2020-10-21","18:00:00",""
"1548494","8.2193","0.0007","14.718","0.0012","10.7344","0.0008","90","","90","","90","","1298.56","0.18","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H4 Br4 O4 Pb3 -","- C4 H4 Br4 O4 Pb3 -","- C16 H16 Br16 O16 Pb12 -","4","0.5","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.088","0.0851","","","0.2209","0.2268","","","","","","1.077","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548549","9.25655","0.00009","8.73919","0.00009","5.31939","0.00005","90","","90","","90","","430.311","0.007","","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","MgSiO3 protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273026","2022-02-18","04:26:29",""
"1548550","9.2732","","8.7266","","5.3217","","90","","90","","90","","430.651","","","","0","","","","","","","","","3","P b c n","-P 2n 2ab","60","dft optimized protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K)","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273027","2022-02-18","04:28:18",""
"1548575","17.083","0.004","13.093","0.003","7.99","0.002","90","","90","","90","","1787.1","0.7","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0781","0.0445","","","0.1031","0.117","","","","","","1.049","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548841","15.1185","0.0014","11.0273","0.0009","24.141","0.002","90","","90","","90","","4024.7","0.6","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","IS5489","Kalaivanan, R.; Sughanya, V.; Sureshbabu, N.","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","IUCrData","2018","3","1","x180105","","10.1107/S2414314618001050","","","0.71073","MoKα","","0.1112","0.0409","","","0.0943","0.14","","","","","","1.116","","","","has coordinates,has Fobs","206012","2020-10-21","18:00:00",""
"1549169","9.845","0.008","22.082","0.017","21.905","0.017","90","","90","","90","","4762","6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Catena(tris(mu-1,2-bis(4-pyridine)ethylene-N,N')-(mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetrakis(mu-diethylmalonato-O,O')-tetrazinc(II)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.5 N2.5 O4 Zn -","- C176 H180 N20 O32 Zn8 -","8","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.235","0.1144","","","0.1887","0.2372","","","","","","1.008","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549564","15.5646","0.0019","7.8895","0.0009","15.9608","0.0017","90","","90","","90","","1959.9","0.4","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Compound 6","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Walther, Patrick; Frey, Wolfgang; Naumann, Stefan","Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone","Polymer Chemistry","2018","9","26","3674","","10.1039/C8PY00784E","","","0.71073","MoKα","","0.083","0.0551","","","0.1529","0.1664","","","","","","1.044","","","","has coordinates,has disorder","230961","2020-10-21","18:00:00",""
"1549580","22.337","0.002","12.7364","0.0013","10.9081","0.0011","90","","90","","90","","3103.3","0.5","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H16 F6 I2 N2 O6 S2 -","- C24 H16 F6 I2 N2 O6 S2 -","- C96 H64 F24 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.0383","","","0.0783","0.0868","","","","","","1.129","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549781","19.7403","0.001","9.3294","0.0003","15.0595","0.0007","90","","90","","90","","2773.4","0.2","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","8-Methyl-16-oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","LH4037","Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","10-Methyl-9,11-annulated dibenzobarrelene","IUCrData","2018","3","8","x181102","","10.1107/S2414314618011021","","","0.71073","MoKα","","0.0656","0.0457","","","0.1168","0.1318","","","","","","1.043","","","","has coordinates,has Fobs","209562","2020-10-21","18:00:00",""
"1549901","4.67138","0.00006","5.65916","0.00007","5.00745","0.00006","90","","90","","90","","132.377","0.003","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","ZnTiNb2O8","","","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb2 O8 Ti Zn -","4","0.5","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210562","2020-10-21","18:00:00",""
"1550268","4.2749","0.0001","16.1161","0.0004","17.0121","0.0004","90","","90","","90","","1172.04","0.05","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H5 Cu I N -","- C4 H5 Cu I N -","- C32 H40 Cu8 I8 N8 -","8","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","x-ray","0.71073","MoKα","","0.0388","0.0319","","","0.0697","0.0764","","","","","","1.063","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550777","32.3746","0.0006","8.0807","0.0002","22.6746","0.0006","90","","90","","90","","5931.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","p-py","","- C34 H20.25 N6 O0.12 S4 -","- C34 H20.25 N6 O0.125 S4 -","- C272 H162 N48 O S32 -","8","1","","Li, Mengqi; Chen, Li-Jun; Zhang, Zhipeng; Luo, Qianfu; Yang, Hai-Bo; Tian, He; Zhu, Weihong","Conformer-dependent self-assembly metallacycles with photo-reversible response","Chemical Science","2019","","","","","10.1039/C9SC00757A","","","1.54178","CuKα","","0.0716","0.0537","","","0.1425","0.155","","","","","","1.025","","","","has coordinates","214322","2020-10-21","18:00:00",""
"1550862","28.4326","0.0006","7.33162","0.00012","7.92571","0.00013","90","","90","","90","","1652.17","0.05","293","","293","2","","","","","","","Mechanochemical synthesis","5","P b c n","-P 2n 2ab","60","Ca-Anthranilate trihydrate","","Ca-Anthranilate trihydrate","- C14 H18 Ca N2 O7 -","- C14 H18 Ca N2 O7 -","- C56 H72 Ca4 N8 O28 -","4","0.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.213","2.31","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1550864","31.0208","0.0011","12.1669","0.0004","7.822","0.0002","90","","90","","90","","2952.23","0.16","293","","293","2","","","","","","","Mechanochemical synthesis","5","P b c n","-P 2n 2ab","60","","","Ba-Anthranilate monohydrate","- C14 H14 Ba N2 O5 -","- C14 H14 Ba N2 O5 -","- C112 H112 Ba8 N16 O40 -","8","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","","1.863","2.95","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1551305","9.8603","0.0003","43.035","0.0014","38.9591","0.0012","90","","90","","90","","16531.8","0.9","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","HCO-(Adm)3-NHtBu bis-DMSO solvate","","","- C42 H68 N4 O6 S2 -","- C42 H68 N4 O6 S2 -","- C672 H1088 N64 O96 S32 -","16","2","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0715","0.0625","","","0.1585","0.1645","","","","","","1.11","","","","has coordinates,has disorder","215795","2020-10-21","18:00:00",""
"1551517","20.581","0.006","13.879","0.004","16.592","0.005","90","","90","","90","","4739","2","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0572","0.0367","","","0.0961","0.1079","","","","","","1.032","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551632","12.666","0.002","12.687","0.002","15.113","0.003","90","","90","","90","","2428.6","0.7","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H28 Cu N6 O6 -","- C25 H28 Cu N6 O6 -","- C100 H112 Cu4 N24 O24 -","4","0.5","","SAGA, Makoto; SAKANE, Genta; YAMAZAKI, Shigeo; SAITO, Keiitsu","Crystal Structure of a Copper(II) Complex with <i>N</i>,<i>N</i>&prime;-Bis(2-methylquinolyl)-dimethyl-1,3-propanediamine","X-ray Structure Analysis Online","2015","31","0","41","","10.2116/xraystruct.31.41","","","0.71075","MoKα","","0.0437","0.0356","","","0.0956","0.0994","","","","","","1.041","","","","has coordinates","216243","2020-10-21","18:00:00",""
"1551650","7.9513","0.0008","23.364","0.002","8.3103","0.0008","90","","90","","90","","1543.8","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","0.5","","HAO, Yongjing; XIE, Juan; MENG, Xiaocai; GAO, Xiaorui","Crystal Structure of 1,3-Di(quinolin-3-yl)urea","X-ray Structure Analysis Online","2014","30","0","27","","10.2116/xraystruct.30.27","","","0.71073","MoKα","","0.0813","0.0439","","","0.1234","0.1499","","","","","","0.921","","","","has coordinates","216261","2020-10-21","18:00:00",""
"1551726","4.8145","0.0003","12.6749","0.0009","26.2919","0.0019","90","","90","","90","","1604.42","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","0.5","","SRINIVASAN, N.; THIRUMARAN, S.; KAPOOR, Kamini; GUPTA, Vivek K.","Crystal Structure of Bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","X-ray Structure Analysis Online","2011","27","","63","","10.2116/xraystruct.27.63","","","0.71073","MoKα","","0.046","0.0366","","","0.1164","0.1242","","","","","","1.015","","","","has coordinates","216338","2020-10-21","18:00:00",""
"1551779","14.439","0.003","8.3664","0.0018","39.656","0.008","90","","90","","90","","4790.5","1.7","293.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 Cl3 N3 O -","- C9 H10 Cl3 N3 O -","- C144 H160 Cl48 N48 O16 -","16","2","","KAWAMURA, Tomoko; HIRAYAMA, Noriaki","Addendum: Crystal Structure of Guanfacine Hydrochloride [X-ray Structure Analysis Online, Vol. 25, p. 3 (2009)]","X-ray Structure Analysis Online","2009","25","","47","","10.2116/xraystruct.25.47","","","1.54187","CuKα","","","0.064","","","","0.123","","","","","","1.149","","","","has coordinates","216391","2020-10-21","18:00:00",""
"1552117","13.479","0.003","11.213","0.002","22.552","0.005","90","","90","","90","","3408.5","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)\ hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane","","- C32 H22 F12 N4 O2 -","- C32 H22 F12 N4 O2 -","- C128 H88 F48 N16 O8 -","4","0.5","HB4306","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate","IUCrData","2019","4","7","x191010","","10.1107/S2414314619010101","","","0.7879","synchrotron","","0.1153","0.0792","","","0.1897","0.2152","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","217192","2020-10-21","18:00:00",""
"1552157","31.0922","0.0006","11.7199","0.0002","7.596","0.0001","90","","90","","90","","2767.96","0.08","100","","100","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O -","- C17 H22 O -","- C136 H176 O8 -","8","1","","Stegbauer, Simone; Jeremias, Noah; Jandl, Christian; Bach, Thorsten","Reversal of reaction type selectivity by Lewis acid coordination: the ortho photocycloaddition of 1- and 2-naphthaldehyde","Chemical Science","2019","","","","","10.1039/C9SC03315G","","x-ray","1.54178","CuKα","","0.0475","0.0409","","","0.1138","0.1193","","","","","","1.021","","","","has coordinates,has disorder","217440","2020-10-21","18:00:00",""
"1552496","29.078","0.006","22.581","0.005","30.471","0.006","90","","90","","90","","20008","7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H24 In N2 O8 -","- C44 H24 In N2 O8 -","- C352 H192 In8 N16 O64 -","8","1","","Jiang, Xiao-Lei; Hou, Sheng-Li; Jiao, Zhuo-Hao; Zhao, Bin","Luminescent Detection of Colchicine by a Unique Indium-Organic Framework in Water with High Sensitivity.","Analytical chemistry","2019","91","15","9754","9759","10.1021/acs.analchem.9b01379","","","0.71073","MoKα","","0.1324","0.0989","","","0.2676","0.2998","","","","","","1.033","","","","has coordinates","220310","2020-10-21","18:00:00",""
"1552882","34.2921","0.0008","13.9716","0.0003","17.0268","0.0004","90","","90","","90","","8157.8","0.3","140.1","1","140.1","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H53 Au N2 -","- C42 H53 Au N2 -","- C336 H424 Au8 N16 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.057","0.0353","","","0.0799","0.0874","","","","","","1.09","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552971","26.28","0.002","9.4772","0.0007","9.5917","0.0008","90","","90","","90","","2388.9","0.3","290","2","290","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.109","0.0589","","","0.1248","0.1487","","","","","","1.019","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1553602","7.9629","0.0003","16.9905","0.0006","18.7808","0.0005","90","","90","","90","","2540.92","0.15","294.06","0.1","294.06","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O S3 -","- C12 H9 N O S3 -","- C96 H72 N8 O8 S24 -","8","1","","Chen, Qiao; Lei, Yingjie; Wang, Yanfang; Wang, Chao; Wang, Yanan; Xu, Zhaoqing; Wang, Huan; Wang, Rui","Direct thiocyanation of ketene dithioacetals under transition-metal-free conditions","Organic Chemistry Frontiers","2017","4","3","369","","10.1039/C6QO00676K","","x-ray","0.71073","MoKα","","0.0697","0.0482","","","0.1129","0.1301","","","","","","1.049","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553910","21.1618","0.0016","11.9414","0.0011","23.2097","0.0017","90","","90","","90","","5865.1","0.8","291","","291","","","","","","","","","4","P b c n","-P 2n 2ab","60","","7,16-[2,2'-(hexano-2,4-diyne-1,6-dioxy)-dibenzoylo]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecine","","- C38 H26 N4 O4 -","- C38 H26 N4 O4 -","- C304 H208 N32 O32 -","8","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0954","0.0404","","","0.0583","0.0619","","","","","","0.954","","","","has coordinates","236157","2020-10-21","18:00:00",""
"1554197","22.853","0.003","23.83","0.003","18.909","0.002","90","","90","","90","","10298","2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","Ir(tfmpqz)2(tpip)","Bis(4-(3,5-bis(trifluoromethyl)phenyl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C56 H34 F12 Ir N5 O2 P2 -","- C56 H34 F12 Ir N5 O2 P2 -","- C448 H272 F96 Ir8 N40 O16 P16 -","8","1","","Han, Hua-Bo; Ma, Xiao-Feng; Wu, Zheng-Guang; Zheng, You-Xuan","Highly efficient yellow electroluminescence of iridium complexes with good electron mobility","Materials Chemistry Frontiers","2018","2","7","1284","","10.1039/C8QM00060C","","","0.71073","MoKα","","0.1017","0.0389","","","0.0665","0.0837","","","","","","0.989","","","","has coordinates","237012","2020-10-21","18:00:00",""
"1554328","57.5837","0.0019","5.8021","0.0002","8.0527","0.0003","90","","90","","90","","2690.46","0.16","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O -","- C16 H15 Cl O -","- C128 H120 Cl8 O8 -","8","1","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2030","","10.1039/C8QO00386F","","","0.71073","MoKα","","0.0589","0.0509","","","0.123","0.1297","","","","","","1.067","","","","has coordinates","237132","2020-10-21","18:00:00",""
"1554752","19.1042","0.0009","43.808","0.002","23.0275","0.0011","90","","90","","90","","19272.1","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C512 H576 Cl16 N144 Na16 O152 S16 -","8","1","","Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan","Functionalisable acyclic cucurbiturils","Organic Chemistry Frontiers","2019","6","10","1555","","10.1039/C9QO00156E","","","1.54178","CuKα","","0.1383","0.1112","","","0.3068","0.3181","","","","","","2.172","","","","has coordinates,has disorder","238100","2020-10-21","18:00:00",""
"1554942","15.5529","0.0006","7.3629","0.0003","19.8862","0.0006","90","","90","","90","","2277.26","0.15","170","2","170.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cu F6 P -","- C26 H20 Cu F6 P -","- C104 H80 Cu4 F24 P4 -","4","0.5","","Liu, He; Shen, Qilong","Bistrifluoromethylated organocuprate [Ph4P]+[Cu(CF3)2]−: synthesis, characterization and its application for trifluoromethylation of activated heteroaryl bromides, chlorides and iodides","Organic Chemistry Frontiers","2019","6","14","2324","","10.1039/C9QO00527G","","","0.71073","MoKα","","0.057","0.0459","","","0.1394","0.15","","","","","","1.057","","","","has coordinates","238227","2020-10-21","18:00:00",""
"1554985","18.70332","0.00019","18.4574","0.0003","18.4002","0.00017","90","","90","","90","","6352.02","0.14","160","2","160.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0396","0.0307","","","0.0779","0.0833","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554986","18.015","0.0002","14.8013","0.0002","23.3476","0.0002","90","","90","","90","","6225.53","0.12","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0534","0.0396","","","0.0966","0.1059","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1555205","18.714","0.003","15.974","0.003","12.0964","0.0018","90","","90","","90","","3616.1","1","100","2","99.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C200 H144 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0605","0.0423","","","0.0983","0.109","","","","","","1.028","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555422","15.9311","0.001","9.7436","0.0006","9.2498","0.0006","90","","90","","90","","1435.81","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H18 Li N2 O -","- C16 H18 Li N2 O -","- C64 H72 Li4 N8 O4 -","4","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.0456","0.0415","","","0.1115","0.1142","","","","","","1.048","","","","has coordinates","238650","2020-10-21","18:00:00",""
"1556086","28.1498","0.0007","17.1737","0.0003","30.4308","0.0007","90","","90","","90","","14711.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","8","P b c n","-P 2n 2ab","60","","[Ag10H8(dppa)6](BF4)2","","- C148 H134 Ag10 B2 Cl8 F8 N6 P12 -","- C148 H134 Ag10 B2 Cl8 F8 N6 P12 -","- C592 H536 Ag40 B8 Cl32 F32 N24 P48 -","4","0.5","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","","1.54184","CuKα","","0.1637","0.121","","","0.3062","0.3495","","","","","","1.063","","","","has coordinates","242767","2020-10-21","18:00:00",""
"1556482","11.4609","0.0003","11.5457","0.0003","14.2003","0.0003","90","","90","","90","","1879.04","0.08","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 Br2 Ca O5 -","- C12 H28 Br2 Ca O5 -","- C48 H112 Br8 Ca4 O20 -","4","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0216","0.0185","","","0.0435","0.0452","","","","","","1.099","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556590","11.9277","0.0007","19.21","0.0011","28.2172","0.0016","90","","90","","90","","6465.4","0.6","120","2","120","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C232 H352 Cl8 F48 Ir8 N24 O12 P8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0487","0.0287","","","0.0502","0.0563","","","","","","1.022","","","","has coordinates,has disorder","245210","2020-10-21","18:00:00",""
"1556592","12.1218","0.001","19.268","0.0015","28.333","0.002","90","","90","","90","","6617.5","0.9","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C232 H352 Cl8 F48 N24 O12 P8 Rh8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0659","0.0468","","","0.1268","0.1394","","","","","","1.029","","","","has coordinates,has disorder","245212","2020-10-21","18:00:00",""
"1556593","15.7258","0.0015","7.9668","0.0008","16.0813","0.0014","90","","90","","90","","2014.7","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0767","0.0552","","","0.1415","0.157","","","","","","1.018","","","","has coordinates,has disorder","245213","2020-10-21","18:00:00",""
"1556657","34.157","0.0011","8.5558","0.0003","19.8431","0.0008","90","","90","","90","","5799","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H37 B Ru2 S6 -","- C24 H37 B Ru2 S6 -","- C192 H296 B8 Ru16 S48 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.095","0.0456","","","0.069","0.0855","","","","","","0.993","","","","has coordinates","245377","2020-10-21","18:00:00",""
"1556849","11.7327","0.0012","9.6358","0.0009","13.0361","0.0013","90","","90","","90","","1473.8","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H6 F6 N2 O2 -","- C16 H6 F6 N2 O2 -","- C64 H24 F24 N8 O8 -","4","0.5","","Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling","A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl","Polymer Chemistry","2020","11","4","784","788","10.1039/C9PY01610D","","","0.71073","MoKα","","0.0526","0.0425","","","0.1028","0.1105","","","","","","1.04","","","","has coordinates","257936","2020-10-21","18:00:00",""
"1556992","9.7263","0.0008","11.8883","0.001","24.935","0.002","90","","90","","90","","2883.2","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng","Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light","Chemical Science","2020","11","8","2130","2135","10.1039/C9SC06184C","","","0.71073","MoKα","","0.0511","0.0417","","","0.108","0.1148","","","","","","1.044","","","","has coordinates","257301","2020-10-21","18:00:00",""
"1556996","18.3","0.0005","14.2331","0.0003","17.9192","0.0005","90","","90","","90","","4667.3","0.2","","","298","","","","100","","","","","5","P b c n","-P 2n 2ab","60","Ca(UO2)2(Si5O12)(OH)2*6H2O","","haiweeite","- Ca H14 O24 Si5 U2 -","- Ca O26 Si5 U2 -","- Ca8 O208 Si40 U16 -","8","1","","Plasil, J.; Fejfarova, K.; Cejka, J.; Dusek, M.; Skoda, R.; Sejkora, J.","Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O","American Mineralogist","2013","98","","718","723","10.2138/am.2013.4284","","","","","","","","","","","","","","","","","","","","","has coordinates","246727","2020-10-21","18:00:00",""
"1557372","21.4461","0.0012","8.4399","0.0004","7.3436","0.0004","90","","90","","90","","1329.21","0.12","296","2","296.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0568","0.049","","","0.119","0.1277","","","","","","1.091","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557642","22.502","0.009","12.689","0.005","12.952","0.005","90","","90","","90","","3698","3","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","chloroquine","","","- C18 H26 Cl N3 -","- C18 H26 Cl N3 -","- C144 H208 Cl8 N24 -","8","1","","C. Courseille; B. Busetta; M. Hospital","7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE)","Crystal Structure Communications","1973","2","","283","286","","","","","","","","0.093","","","","","","","","","","","","","","has coordinates","249613","2020-10-21","18:00:00",""
"1557869","21.874","0.005","15.366","0.003","8.915","0.003","90","","90","","90","","2996.5","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C112 H136 Br8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0325","0.0272","","","0.0697","0.0727","","","","","","1.065","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557976","27.3167","0.0002","19.80926","0.00014","27.71777","0.00016","90","","90","","90","","14998.7","0.18","200","0.1","200","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","Ag18-Mo6","","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C248 H516 Ag72 Mo72 N28 O228 S48 -","4","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0545","0.0515","","","0.1275","0.1291","","","","","","1.102","","","","has coordinates,has disorder","252849","2020-10-21","18:00:00",""
"1558276","33.189","0.008","10.162","0.003","7.2434","0.0018","90","","90","","90","","2443","1.1","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0923","0.0497","","","0.1122","0.1334","","","","","","1.059","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558384","27.169","0.005","7.8353","0.0014","19.215","0.003","90","","90","","90","","4090.4","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C216 H160 N16 O24 -","8","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.0897","0.0749","","","0.1766","0.1863","","","","","","1.079","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558489","19.572","0.002","24.347","0.004","16.601","0.002","90","","90","","90","","7910.7","1.8","","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","{[WO4Crcyclam]4}(Cl)4.3H2O","","","- C40 H108 Cl4 Cr4 N16 O22 W4 -","- C40 Cl4 Cr4 N16 O22 W4 -","- C160 Cl16 Cr16 N64 O88 W16 -","4","0.5","","Glerup, Jorgen; Hazell, Alan; Michelsen, Kirsten; Weihe, Hogni","Synthesis and Magnetic Susceptibility of New Bimetallic, Tetranuclear and Octanuclear Complex Ions Containing Molybdenum(VI)/Tungsten(VI) and Chromium(III)/Rhodium(III). Crystal Structures of {[MoO4Crcyclam]2}(ClO4)2, {[MoO4Rhcyclam]2}(ClO4)2 and {[WO4Crcyclam]4}(ClO4)4.3H2O","Acta Chemica Scandinavica","1994","48","","618","627","10.3891/acta.chem.scand.48-0618","","x-ray","0.71073","MoKα","","","0.054","","","0.066","","","","","","","1.55","","","","has coordinates","253693","2020-10-21","18:00:00",""
"1558597","16.744","0.003","8.832","0.002","13.263","0.003","90","","90","","90","","1961.4","0.7","","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II)","","","- C14 H20 Cl4 Co N2 -","- C14 Cl4 Co N2 -","- C56 Cl16 Co4 N8 -","4","0.5","","Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Werner, Per-Erik; Liptay, Gyorgy","Pyridine-Type Complexes of Transition-Metal Halides. VI. Preparation and Characterization of 2,6- and 3,5-Dimethylpyridine Complexes of Cobalt(II) Halides; the Crystal Structure of Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II) and Dichlorotetrakis(3,5-dimethylpyridine)cobalt(II)","Acta Chemica Scandinavica","1994","48","","951","959","10.3891/acta.chem.scand.48-0951","","x-ray","0.71069","MoKα","","","0.0431","","","0.0457","","","","","","","1.43","","","","has coordinates","254336","2020-10-21","18:00:00",""
"1558836","33.1022","0.0015","13.6273","0.0004","16.0057","0.0005","90","","90","","90","","7220.1","0.5","173","2","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H78 Br6 N10 O10 Zn3 -","- C60 H78 Br6 N10 O10 Zn3 -","- C240 H312 Br24 N40 O40 Zn12 -","4","0.5","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","1.54184","CuKα","","0.0829","0.0661","","","0.1293","0.1365","","","","","","1.158","","","","has coordinates,has disorder","257401","2020-10-21","18:00:00",""
"1559107","13.4843","0.0005","14.5316","0.0006","26.5664","0.001","90","","90","","90","","5205.6","0.3","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 Fe N O1.5 -","- C32 H30 Fe N O1.5 -","- C256 H240 Fe8 N8 O12 -","8","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","0.71073","MoKα","","0.0858","0.0448","","","0.0954","0.1091","","","","","","1.001","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559469","15.072","0.002","7.9873","0.0009","6.841","0.0009","90","","90","","90","","823.55","0.18","18","1","18","1","","","","","","","","4","P b c n","-P 2n 2ab","60","bis(dimethylamino)squaraine","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0417","0.0314","","","0.0896","0.0989","","","","","","1.113","","","","has coordinates","259000","2020-11-06","15:09:55",""
"1559707","25.3473","0.0019","11.025","0.0008","10.6805","0.0011","90","","90","","90","","2984.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H34 F6 O4 S2 -","- C29 H34 F6 O4 S2 -","- C116 H136 F24 O16 S8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0482","0.0414","","","0.1106","0.1145","","","","","","1.043","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559901","22.6297","0.0005","16.5486","0.0004","21.7786","0.0005","90","","90","","90","","8155.9","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate","","- C24 H38 N22 O3 S3 -","- C24 H38 N22 O3 S3 -","- C192 H304 N176 O24 S24 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0879","0.0855","","","0.2383","0.2397","","","","","","1.079","","","","has coordinates,has disorder","260355","2021-01-02","01:35:23",""
"1559917","15.8859","0.0003","18.0676","0.0003","29.0581","0.0005","90","","90","","90","","8340.3","0.3","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H54 N4 O4 -","- C46 H54 N4 O4 -","- C368 H432 N32 O32 -","8","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.084","0.0657","","","0.1375","0.1483","","","","","","1.118","","","","has coordinates","260400","2021-01-03","22:55:11",""
"1560581","13.2162","0.0014","15.3955","0.0015","11.3899","0.0011","90","","90","","90","","2317.5","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 Co N4 O4 -","- C28 H20 Co N4 O4 -","- C112 H80 Co4 N16 O16 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.1298","0.0814","","","0.1918","0.2282","","","","","","1.061","","","","has coordinates,has disorder","262158","2021-02-23","10:07:39",""
"1560582","13.205","0.006","15.562","0.007","11.364","0.005","90","","90","","90","","2335.3","1.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 N4 O4 Zn -","- C28 H20 N4 O4 Zn -","- C112 H80 N16 O16 Zn4 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.0721","0.0385","","","0.0647","0.07","","","","","","1.033","","","","has coordinates,has disorder","262158","2021-02-23","10:07:41",""
"1561261","20.458","0.003","7.6063","0.0013","20.826","0.003","90","","90","","90","","3240.7","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 N6 O11 Zn2 -","- C34 H22 N6 O11 Zn2 -","- C136 H88 N24 O44 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0683","0.0463","","","0.1166","0.1292","","","","","","1.034","","","","has coordinates","263323","2021-03-25","10:29:18",""
"1561400","7.4389","0.0017","11.574","0.003","10.914","0.002","90","","90","","90","","939.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F2 Mn2 O7 Rb2 V2 -","- F2 Mn2 O7 Rb2 V2 -","- F8 Mn8 O28 Rb8 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.0405","0.0379","","","0.0971","0.0996","","","","","","1.127","","","","has coordinates","263515","2021-04-01","07:57:22",""
"1561401","7.5615","0.0015","11.745","0.002","11.127","0.002","90","","90","","90","","988.2","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs2 F2 Mn2 O7 V2 -","- Cs2 F2 Mn2 O7 V2 -","- Cs8 F8 Mn8 O28 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.033","0.0322","","","0.0802","0.0812","","","","","","1.157","","","","has coordinates","263516","2021-04-01","07:58:19",""
"1561961","16.4076","0.0011","13.8565","0.001","14.147","0.001","90","","90","","90","","3216.3","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Co2 N4 O11 -","- C38 H28 Co2 N4 O11 -","- C152 H112 Co8 N16 O44 -","4","0.5","","Lin, Hong-Yan; Lu, Huizhe; Le, Mao; Luan, Jian; Wang, Xiu-Li; Liu, Guocheng; Zhang, Juwen","Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers","Journal of Solid State Chemistry","2015","226","","66","73","10.1016/j.jssc.2015.02.002","","","0.71073","MoKα","","0.0397","0.033","","","0.0962","0.1003","","","","","","1.052","","","","has coordinates","264369","2021-04-21","09:36:06",""
"1562532","4.5337","0.00002","5.49959","0.00003","4.9037","0.00002","90","","90","","90","","122.266","0.001","293","","293","","","","","","","","","2","P b c n","-P 2n 2ab","60","","'Titanium Dioxide - II'","","- O2 Ti -","- O2 Ti0.5 -","- O8 Ti2 -","4","0.5","","Spektor, Kristina; Tran, Dung Trung; Leinenweber, Kurt; Häussermann, Ulrich","Transformation of rutile to TiO2-II in a high pressure hydrothermal environment","Journal of Solid State Chemistry","2013","206","","209","216","10.1016/j.jssc.2013.08.018","powder diffraction","x-ray","1.54059","CuKα1","","","","","","","","","2.7199","","","","","","","","has coordinates","265141","2021-05-12","09:45:57",""
"1562568","25.419","0.003","10.6458","0.0013","11.62","0.0013","90","","90","","90","","3144.4","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H26 Br2 Co N4 O4 -","- C32 H26 Br2 Co N4 O4 -","- C128 H104 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li","Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2013","205","","104","109","10.1016/j.jssc.2013.07.013","","","0.71073","MoKα","","0.1243","0.0525","","","0.1104","0.1367","","","","","","0.976","","","","has coordinates","265259","2021-05-17","06:58:31",""
"1562772","14.93","0.003","7.0687","0.0015","23.611","0.005","90","","90","","90","","2491.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","p-arsanilicacid,Pb(NO3)2","","","- C6 H8 As N3 O9 Pb -","- C6 H8 As N3 O9 Pb -","- C48 H64 As8 N24 O72 Pb8 -","8","1","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.0609","0.0335","","","0.078","0.1017","","","","","","1.134","","","","has coordinates","265407","2021-05-21","07:48:41",""
"1562911","8.8817","0.0007","6.6109","0.0005","19.5693","0.0015","90","","90","","90","","1149.03","0.15","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","zinc uranyl diphosphate oxyhydrate","","- H6 O15 P2 U Zn4 -","- H6 O15 P2 U Zn4 -","- H24 O60 P8 U4 Zn16 -","4","0.5","","Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.","Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units","Journal of Solid State Chemistry","2012","196","","482","488","10.1016/j.jssc.2012.07.020","","","0.71073","MoKα","","0.0189","0.0166","","","0.0601","0.0622","","","","","","0.756","","","","has coordinates","265542","2021-05-27","07:39:23",""
"1563304","13.805","0.005","9.278","0.005","25.858","0.005","90","0.005","90","0.005","90","0.005","3312","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cd N10 O6 -","- C36 H30 Cd N10 O6 -","- C144 H120 Cd4 N40 O24 -","4","0.5","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71069","MoKα","","0.0395","0.0311","","","0.0879","0.0945","","","","","","1.059","","","","has coordinates","266361","2021-06-10","09:34:22",""
"1563415","24.1436","0.0007","9.2164","0.0003","18.0242","0.0005","90","","90","","90","","4010.7","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C184 H232 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.0615","0.047","","","0.1089","0.1159","","","","","","1.028","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563512","27.564","0.0004","11.4041","0.0002","15.5519","0.0002","90","","90","","90","","4888.62","0.13","293","2","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H12 Ce2 O13 -","- C24 H12 Ce2 O13 -","- C192 H96 Ce16 O104 -","8","1","","Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis","Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3","Journal of Solid State Chemistry","2010","183","9","1943","1948","10.1016/j.jssc.2010.06.021","","","0.71069","MoKα","","0.0414","0.0283","","","0.0257","0.0268","","","","3.57","3.57","3.37","","","","has coordinates","266486","2021-06-16","08:08:16",""
"1563514","27.5346","0.0003","11.3006","0.0002","15.5119","0.0003","90","","90","","90","","4826.64","0.14","293","2","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H12 Nd2 O13 -","- C24 H12 Nd2 O13 -","- C192 H96 Nd16 O104 -","8","1","","Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis","Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3","Journal of Solid State Chemistry","2010","183","9","1943","1948","10.1016/j.jssc.2010.06.021","","","0.71073","MoKα","","0.0582","0.0401","","","0.038","0.0385","","","","4.06","4.06","3.56","","","","has coordinates","266486","2021-06-16","08:08:17",""
"1563790","9.2922","0.0018","23.934","0.005","12.29","0.003","90","","90","","90","","2733.3","1","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H3 Cl Cu3 N12 O2 -","- C3 H3 Cl Cu3 N12 O2 -","- C24 H24 Cl8 Cu24 N96 O16 -","8","1","","Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming","Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature","Journal of Solid State Chemistry","2019","276","","244","250","10.1016/j.jssc.2019.05.014","","","0.71073","MoKα","","0.101","0.0707","","","0.1926","0.2092","","","","","","1.095","","","","has coordinates","266804","2021-06-30","08:59:22",""
"1563812","13.4935","0.001","22.1756","0.0017","11.2515","0.0008","90","","90","","90","","3366.7","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H16 Cl N2 O3.5 Re -","- C17 H16 Cl N2 O3.5 Re -","- C136 H128 Cl8 N16 O28 Re8 -","8","1","","Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault","Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides","Chemical Science","2021","","","","","10.1039/D1SC01974K","","","0.71073","MoKα","","0.0578","0.0518","","","0.1115","0.1135","","","","","","1.507","","","","has coordinates","266826","2021-07-01","01:13:45",""
"1564090","13.6336","0.0004","19.7591","0.0007","26.8567","0.0011","90","","90","","90","","7234.9","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H39 N O5.5 P3 -","- C39 H38 N O5.5 P3 -","- C312 H304 N8 O44 P24 -","8","1","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","0.71073","MoKα","","0.0811","0.0555","","","0.1363","0.1514","","","","","","1.073","","","","has coordinates,has disorder","267431","2021-07-09","09:38:33",""
"1564097","19.6427","0.0008","11.8972","0.0005","15.2443","0.0008","90","","90","","90","","3562.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20 N2 Ni O5 -","- C18 H20 N2 Ni O5 -","- C144 H160 N16 Ni8 O40 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0787","0.0478","","","0.1092","0.1288","","","","","","1.022","","","","has coordinates","267434","2021-07-09","09:50:57",""
"1564098","19.6607","0.0006","11.8032","0.0004","15.0266","0.0004","90","","90","","90","","3487.06","0.18","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20.31 N2 Ni O5.16 -","- C18 H20.312 N2 Ni O5.156 -","- C144 H162.496 N16 Ni8 O41.248 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0394","0.0331","","","0.084","0.0887","","","","","","1.037","","","","has coordinates","267435","2021-07-09","09:52:03",""
"1564102","16.1765","0.0016","8.3154","0.0008","21.382","0.002","90","","90","","90","","2876.2","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H6 Br4 Cu2 N4 -","- C8 H6 Br4 Cu2 N4 -","- C64 H48 Br32 Cu16 N32 -","8","1","","Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei","Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds","Inorganica Chimica Acta","2020","512","","119893","","10.1016/j.ica.2020.119893","","","0.71073","MoKα","","0.053","0.0351","","","0.0809","0.0886","","","","","","1.017","","","","has coordinates","267439","2021-07-09","10:00:32",""
"1564200","7.191","0.0004","13.105","0.0008","14.5221","0.0017","90","","90","","90","","1368.5","0.2","112.55","0.1","112.55","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H11 F N2 -","- C19 H11 F N2 -","- C76 H44 F4 N8 -","4","0.5","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","x-ray","0.71073","MoKα","","0.0547","0.0419","","","0.0879","0.0958","","","","","","1.041","","","","has coordinates,has disorder","267608","2021-07-17","00:50:52",""
"1564223","18.2115","0.0013","10.9601","0.0005","33.38","0.002","90","","90","","90","","6662.6","0.7","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.1017","0.0541","","","0.1122","0.1327","","","","","","1.019","","","","has coordinates,has disorder","267707","2021-07-23","01:43:16",""
"1564224","18.2035","0.001","10.9561","0.0006","33.712","0.0017","90","","90","","90","","6723.5","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0429","0.0353","","","0.1048","0.1087","","","","","","1.034","","","","has coordinates,has disorder","267707","2021-07-23","01:43:28",""
"1564225","18.2294","0.0008","10.974","0.0005","33.6809","0.0015","90","","90","","90","","6737.8","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0481","0.0376","","","0.1087","0.1134","","","","","","0.99","","","","has coordinates,has disorder","267707","2021-07-23","01:43:32",""
"1564226","18.2216","0.0005","10.9631","0.0008","33.6434","0.0014","90","","90","","90","","6720.8","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","{(3,3,4,4,5,5-hexafluorocyclopent-1-ene-1,2-diyl)bis[(5-methylthiene-4,2-diyl)-3,1-phenylene]}bis(trimethylsilane)","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.81078","Synchrotron","","0.0809","0.0709","","","0.1957","0.2224","","","","","","1.16","","","","has coordinates,has disorder","267707","2021-07-23","01:43:34",""
"1564228","18.2491","0.0007","10.9875","0.0004","33.644","0.0012","90","","90","","90","","6746","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0535","0.0404","","","0.1162","0.1215","","","","","","0.983","","","","has coordinates,has disorder","267707","2021-07-23","01:43:48",""
"1564229","18.1941","0.0003","10.9554","0.0002","33.6907","0.0006","90","","90","","90","","6715.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4298","synchrotron","","0.0385","0.0359","","","0.1046","0.1077","","","","","","1.028","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564230","18.2662","0.0015","10.9946","0.0006","33.201","0.003","90","","90","","90","","6667.7","0.9","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.1276","0.0615","","","0.1195","0.1462","","","","","","1.016","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564231","18.127","0.0013","10.9066","0.0006","33.637","0.002","90","","90","","90","","6650.2","0.7","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.0839","0.0465","","","0.0929","0.107","","","","","","1.018","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564232","18.2337","0.0005","10.9971","0.0009","33.6597","0.0016","90","","90","","90","","6749.4","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","{(3,3,4,4,5,5-hexafluorocyclopent-1-ene-1,2-diyl)bis[(5-methylthiene-4,2-diyl)-3,1-phenylene]}bis(trimethylsilane)","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.81078","Synchrotron","","0.1208","0.0958","","","0.2897","0.36","","","","","","1.272","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564449","15.159","0.004","8.142","0.002","18.374","0.005","90","","90","","90","","2267.8","1","223","","223","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H24 Cl2 Mn N6 -","- C22 H24 Cl2 Mn N6 -","- C88 H96 Cl8 Mn4 N24 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.101","0.0554","","","0.1153","0.1415","","","","","","1.041","","","","has coordinates","268295","2021-08-30","11:14:50",""
"1564578","9.3789","0.0003","7.3342","0.0003","23.3025","0.0008","90","","90","","90","","1602.9","0.1","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Mn3 N4 O12 -","- C10 H10 Mn3 N4 O12 -","- C40 H40 Mn12 N16 O48 -","4","0.5","","Sun, Ping-Ping; Zhang, Yu-Hang; Yu, Xuehua; Shi, Qi; Tian, Bo; Gao, Jun; Shi, Fa-Nian","Cu powder decorated 3D Mn-MOF with excellent electrochemical properties for supercapacitors","Inorganica Chimica Acta","2020","508","","119629","","10.1016/j.ica.2020.119629","","x-ray","0.71073","MoKα","","0.0454","0.0333","","","0.0757","0.0827","","","","","","1.061","","","","has coordinates","269021","2021-09-07","09:19:34",""
"1564583","20.2082","0.0007","18.663","0.0008","18.4793","0.0011","90","","90","","90","","6969.4","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H102 Co2 La N5 O16 -","- C56 H102 Co2 La N5 O16 -","- C224 H408 Co8 La4 N20 O64 -","4","0.5","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0584","0.0414","","","0.0881","0.0933","","","","","","1.044","","","","has coordinates,has disorder","269023","2021-09-07","09:35:21",""
"1564700","12.5218","0.0011","23.348","0.002","7.3314","0.0006","90","","90","","90","","2143.4","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H32 O48 Rb16 S16 -","- C40 O48 Rb16 S16 -","- C40 O48 Rb16 S16 -","1","0.125","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.0485","0.0418","","","0.1043","0.1095","","","","","","1.074","","","","has coordinates,has disorder","269221","2021-09-20","22:16:18",""
"1565056","18.1149","0.0005","7.9429","0.0002","18.0218","0.0005","90","","90","","90","","2593.06","0.12","111","3","111","3","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C96 H128 N32 O16 -","16","2","","Greener, Andrew John; Ubysz, Patrycja; Owens-Ward, Will; Smith, George; Ocaña, Ivan; Whitwood, Adrian Charles; Chechik, Victor; James, Michael J.","Radical–Anion Coupling Through Reagent Design: Hydroxylation of Aryl Halides","Chemical Science","2021","","","","","10.1039/D1SC04748E","","x-ray","0.71073","MoKα","","0.0643","0.047","","","0.1156","0.1261","","","","","","1.063","","","","has coordinates","270107","2021-10-28","22:29:31",""
"1565148","25.4779","0.0015","11.8085","0.0006","13.8705","0.0007","90","","90","","90","","4173","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C200 H192 N16 O40 -","8","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","1.54178","CuKα","","0.0928","0.0766","","","0.201","0.2225","","","","","","1.053","","","","has coordinates","270546","2021-11-09","23:16:58",""
"1565154","15.5191","0.0007","9.0804","0.0005","30.9354","0.0013","90","","90","","90","","4359.4","0.4","150","2","149.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","0.71073","MoKα","","0.1353","0.0556","","","0.1024","0.1364","","","","","","1.037","","","","has coordinates","270546","2021-11-09","23:17:00",""
"1565383","16.7712","0.0003","13.1359","0.0002","13.0495","0.0002","90","","90","","90","","2874.87","0.08","100","0.7","100","0.7","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13.5 H7 Cl4 N2 S -","- C13.5 H7 Cl4 N2 S -","- C108 H56 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0638","0.0615","","","0.1453","0.1454","","","","","","1.237","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565524","4.58111","0.00005","5.59297","0.00006","4.96249","0.00005","90","","90","","90","","127.149","0.002","295","","295","","","","","","","","Synthesized","3","P b c n","-P 2n 2ab","60","Alpha-Fe2WO6","Iron tungsten oxide","","- Fe2.67 O8 W1.33 -","- Fe2.66664 O8 W1.33336 -","- Fe2.66664 O8 W1.33336 -","1","0.125","","Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte","Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs","The Journal of Physical Chemistry C","2021","125","46","25907","25916","10.1021/acs.jpcc.1c08314","powder diffraction","x-ray","0.44304","synchrotron","","","","","","","","","5.7481","0.27115","","","","","","","has coordinates","271104","2021-12-04","02:46:04",""
"1565678","24.7944","0.001","8.0362","0.0003","8.6956","0.0004","90","","90","","90","","1732.62","0.12","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Mn N2 O4 -","- C19 H20 Mn N2 O4 -","- C76 H80 Mn4 N8 O16 -","4","0.5","","Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita","A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study","Inorganica Chimica Acta","2020","499","","119176","","10.1016/j.ica.2019.119176","","","0.71073","MoKα","","0.0585","0.0477","","","0.1495","0.1598","","","","","","1.061","","","","has coordinates","271352","2021-12-13","08:59:22",""
"1566656","8.3966","0.0003","5.4546","0.0001","8.3737","0.0003","90","","90","","90","","383.52","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- D2 O -","- D2 O -","- D40 O20 -","20","2.5","","Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.","Structure and nature of ice XIX","Nature Communications","2021","12","","3162","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273852","2022-03-21","01:01:58",""
"1566665","25.849","0.005","19.5041","0.0003","21.0152","0.0004","90","","90","","90","","10595","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H48 Cl N4 O2 P3 Ru -","- C51 H48 Cl N4 O2 P3 Ru -","- C408 H384 Cl8 N32 O16 P24 Ru8 -","8","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.0343","0.0277","","","0.0673","0.0704","","","","","","1.023","","","","has coordinates","275779","2022-06-06","01:38:01",""
"1566826","19.5758","0.0002","8.4512","0.0001","18.7056","0.0002","90","","90","","90","","3094.64","0.06","173","0.1","173","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C144 H128 O16 S8 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0416","0.0382","","","0.0898","0.0919","","","","","","1.087","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566842","19.753","0.002","10.6344","0.0012","20.535","0.003","90","","90","","90","","4313.6","0.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H25 N3 -","- C26 H25 N3 -","- C208 H200 N24 -","8","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.0911","0.0596","","","0.1549","0.2038","","","","","","1.135","","","","has coordinates","274606","2022-04-20","22:13:52",""
"1566958","14.303","0.01","13.119","0.009","7.702","0.005","90","","90","","90","","1445.2","1.7","296.1","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H11 B O3 -","- C5 H11 B O3 -","- C40 H88 B8 O24 -","8","1","","Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji","Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation","The Journal of Physical Chemistry B","2014","118","22","6032","6037","10.1021/jp5026569","","","0.71075","MoKa","","","0.061","","","","0.0906","","","","","","2.06","","","","has coordinates","275370","2022-05-12","17:01:13",""
"1566989","11.819","0.002","12.632","0.002","10.1183","0.0016","90","","90","","90","","1510.6","0.4","99.93","","99.93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15.23 H28.13 Cu1.07 N4.3 -","- C15.228 H28.128 Cu1.0715 N4.302 -","- C60.912 H112.512 Cu4.286 N17.208 -","4","0.5","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","","0.71073","MoKα","","0.0497","0.0311","","","0.0729","0.0804","","","","","","1.038","","","","has coordinates,has disorder","275491","2022-05-17","22:09:24",""
"1566990","12.064","0.0004","11.9661","0.0005","10.878","0.0003","90","","90","","90","","1570.34","0.09","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zinc Bis(N,N'-Dimethyl-4-penten-2-amine)","","- C14 H26 N4 Zn -","- C14 H26 N4 Zn -","- C56 H104 N16 Zn4 -","4","0.5","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","x-ray","0.71073","MoKα","","0.0447","0.0283","","","0.0687","0.0757","","","","","","1.025","","","","has coordinates","275491","2022-05-17","22:09:25",""
"1567078","38.9356","0.001","18.8132","0.0004","29.4619","0.0007","90","","90","","90","","21580.9","0.9","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C111 H129 B2 Cl4 F4 N11 O5 -","- C111 H129 B2 Cl4 F4 N11 O5 -","- C888 H1032 B16 Cl32 F32 N88 O40 -","8","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1328","0.1029","","","0.3092","0.3439","","","","","","1.34","","","","has coordinates","276592","2022-07-06","07:55:19",""
"1567263","8.034","0.002","12.953","0.003","10.755","0.003","90","","90","","90","","1119.2","0.5","","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium sodium hexafluorotitanate","","- F6 H4 N Na Ti -","- F6 N Na Ti -","- F48 N8 Na8 Ti8 -","8","1","","Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I.","Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions","Russian Journal of Coordination Chemistry","2001","27","12","831","834","10.1023/A:1013031126720","","x-ray","","MoKα","","","0.045","","","","0.04","","","","","","","","","","has coordinates","276730","2022-07-07","20:36:48",""
"1567264","9.251","0.001","11.92","0.001","10.271","0.001","90","","90","","90","","1132.6","0.19","","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Caesium lithium hexafluorotitanate","","- Cs F6 Li Ti -","- Cs F6 Li Ti -","- Cs8 F48 Li8 Ti8 -","8","1","","Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F.","Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions","Russian Journal of Coordination Chemistry","2002","28","1","19","24","10.1023/A:1013707619394","","x-ray","","MoKα","","","0.038","","","","0.046","","","","","","","","","","has coordinates","276739","2022-07-10","20:07:26",""
"1567295","12.407","0.003","21.571","0.004","16.723","0.003","90","","90","","90","","4475.6","1.6","100","2","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H56 Cu F6 N8 O6 S2 -","- C42 H56 Cu F6 N8 O6 S2 -","- C168 H224 Cu4 F24 N32 O24 S8 -","4","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0564","0.0511","","","0.1129","0.116","","","","","","1.217","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567311","15.4383","0.0016","20.371","0.002","7.3501","0.0007","90","","90","","90","","2311.6","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 O2 S -","- C31 H24 O2 S -","- C124 H96 O8 S4 -","4","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0678","0.053","","","0.1091","0.1153","","","","","","1.095","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567335","25.668","0.009","11.721","0.004","25.249","0.009","90","","90","","90","","7596","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H82 Au2 F12 N10 Sb2 -","- C72 H82 Au2 F12 N10 Sb2 -","- C288 H328 Au8 F48 N40 Sb8 -","4","0.5","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1075","0.0652","","","0.1282","0.151","","","","","","1.243","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567499","11.8808","0.0012","10.3821","0.001","42.031","0.004","90","","90","","90","","5184.4","0.9","130","0.5","130","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","6-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2-(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C63.4 H61 N3 O2 -","- C63.4 H61 N3 O2 -","- C253.6 H244 N12 O8 -","4","0.5","","Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin","Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system","Chemical Science","2022","","","","","10.1039/D2SC03342A","","","0.71073","MoKα","","0.1093","0.0977","","","0.2757","0.2877","","","","","","1.08","","","","has coordinates,has disorder","277310","2022-08-18","22:11:00",""
"1567503","8.1943","0.0004","21.1329","0.0009","16.5436","0.0006","90","","90","","90","","2864.8","0.2","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl2 N8 O8 Ru -","- C26 H22 Cl2 N8 O8 Ru -","- C104 H88 Cl8 N32 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0732","0.0622","","","0.1665","0.2083","","","","","","1.129","","","","has coordinates","278984","2022-11-07","05:24:27",""
"1567532","41.574","0.003","8.6065","0.0007","18.2384","0.0014","90","","90","","90","","6525.8","0.9","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","","- C34 H24 F10 Ir N4 O2 P -","- C34 H24 F10 Ir N4 O2 P -","- C272 H192 F80 Ir8 N32 O16 P8 -","8","1","ZL4051","Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","IUCrData","2022","7","8","x220830","","10.1107/S2414314622008306","","","1.54178","CuKα","","0.0317","0.0278","","","0.0639","0.0677","","","","","","1.163","","","","has coordinates,has Fobs","277425","2022-08-27","02:54:16",""
"1567609","21.1343","0.0008","13.7339","0.0007","7.328","0.0003","90","","90","","90","","2127","0.16","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 I3 N -","- C23 H16 I3 N -","- C92 H64 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0453","0.0251","","","0.0345","0.0382","","","","","","1.053","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567612","21.0883","0.0017","13.773","0.0011","7.3022","0.0006","90","","90","","90","","2120.9","0.3","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H15 I3 N2 -","- C22 H15 I3 N2 -","- C88 H60 I12 N8 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0636","0.0362","","","0.0671","0.0744","","","","","","1.063","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567613","21.0383","0.0012","13.782","0.0008","7.3031","0.0004","90","","90","","90","","2117.5","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C88 H56 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0444","0.0265","","","0.0446","0.0484","","","","","","1.058","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567661","16.0349","0.0003","15.8463","0.0004","19.0464","0.0004","90","","90","","90","","4839.57","0.18","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O4 Se4 -","- C22 H26 N2 O4 Se4 -","- C176 H208 N16 O32 Se32 -","8","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0502","0.0399","","0.119","0.1076","0.119","","","","","","1.0194","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567856","13.8062","0.0004","16.5341","0.0005","18.0269","0.0006","90","","90","","90","","4115.1","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,1'-((ethane-1,2-diylbis(((4-methoxyphenyl)carbamoyl)azanediyl))bis(ethane-2,1-diyl))bis(3-(3,5-bis(trifluoromethyl)phenyl)urea)","","- C40 H38 F12 N8 O6 -","- C40 H38 F12 N8 O6 -","- C160 H152 F48 N32 O24 -","4","0.5","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.1106","0.0518","","","0.1127","0.1396","","","","","","1.013","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1568047","17.8746","0.0012","9.0854","0.0005","18.3865","0.0012","90","","90","","90","","2985.9","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Hf(Cp'')2Cl2]","","- C22 H42 Cl2 Hf Si4 -","- C22 H42 Cl2 Hf Si4 -","- C88 H168 Cl8 Hf4 Si16 -","4","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0964","0.0533","","","0.1095","0.1303","","","","","","1.064","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568410","13.6718","0.0018","15.798","0.002","15.142","0.002","90","","90","","90","","3270.5","0.7","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H30 Ag B2 F8 N6 -","- C26 H30 Ag B2 F8 N6 -","- C104 H120 Ag4 B8 F32 N24 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0589","0.0539","","","0.1249","0.1274","","","","","","1.247","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568433","15.0236","0.0001","21.9618","0.0001","21.1294","0.0002","90","","90","","90","","6971.55","0.09","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H104 Al Cu N4 Si2 -","- C75 H104 Al Cu N4 Si2 -","- C300 H416 Al4 Cu4 N16 Si8 -","4","0.5","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0424","0.0351","","","0.0917","0.0965","","","","","","1.024","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568801","33.0206","0.001","10.3986","0.0003","29.787","0.0009","90","","90","","90","","10227.9","0.5","150","2","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H75 Bi N5 O4 S2 -","- C49 H75 Bi N5 O4 S2 -","- C392 H600 Bi8 N40 O32 S16 -","8","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0376","0.0319","","","0.0695","0.0755","","","","","","1.102","","","","has coordinates,has disorder","283144","2023-05-05","00:45:47",""
"1569070","15.6157","0.0017","13.7323","0.0016","10.4556","0.001","90","","90","","90","","2242.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H29 Br2 N2 -","- C19 H29 Br2 N2 -","- C76 H116 Br8 N8 -","4","0.5","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.1124","0.0723","","","0.2168","0.2478","","","","","","1.05","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1570079","7.5165","0.0002","21.9107","0.0006","15.9258","0.0004","90","","90","","90","","2622.85","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H34 Cl4 N4 O8 Zn2 -","- C60 H34 Cl4 N4 O8 Zn2 -","- C120 H68 Cl8 N8 O16 Zn4 -","2","0.25","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1043","0.0988","","","0.3606","0.3735","","","","","","1.819","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570095","25.7551","0.0005","19.7204","0.0004","22.789","0.0004","90","","90","","90","","11574.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H52 F10 Ir N5 O4 -","- C52.5 H52 F10 Ir N5 O4 -","- C420 H416 F80 Ir8 N40 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.1087","0.0851","","","0.23","0.2591","","","","","","1.115","","","","has coordinates,has disorder","289310","2024-02-04","10:57:36",""
"1570521","35.662","0.002","8.8757","0.0006","15.3809","0.0009","90","","90","","90","","4868.4","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H25 F6 Fe N3 O7 S2 -","- C13 H25 F6 Fe N3 O7 S2 -","- C104 H200 F48 Fe8 N24 O56 S16 -","8","1","","Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol","A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism.","Chemical science","2024","15","2","528","533","10.1039/d3sc05603a","","","0.71073","MoKα","","0.076","0.0417","","","0.0803","0.0901","","","","","","1.017","","","","has coordinates","289419","2024-02-04","11:31:54",""
"1570916","13.644","0.012","25.64","0.02","29.54","0.03","90","","90","","90","","10334","16","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H51 Cl2 N8 O4.5 -","- C56 H51 Cl2 N8 O4.5 -","- C448 H408 Cl16 N64 O36 -","8","1","","Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin","A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.","Molecules (Basel, Switzerland)","2024","29","2","464","","10.3390/molecules29020464","","","0.71073","MoKα","","0.1786","0.0572","","","0.1171","0.1455","","","","","","0.85","","","","has coordinates","289670","2024-02-05","05:10:10",""
"1571367","10.1151","0.0001","17.6923","0.0002","20.5843","0.0003","90","","90","","90","","3683.75","0.08","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H57 Fe N3 Si2 -","- C35 H57 Fe N3 Si2 -","- C140 H228 Fe4 N12 Si8 -","4","0.5","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0521","0.0488","","","0.1297","0.1324","","","","","","1.1","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571376","19.2401","0.001","12.1579","0.0007","10.1312","0.0006","90","","90","","90","","2369.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N4 O5 -","- C24 H28 Mn N4 O5 -","- C96 H112 Mn4 N16 O20 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0434","0.0414","","","0.1109","0.1133","","","","","","1.086","","","","has coordinates","291081","2024-04-05","05:50:41",""
"1571377","15.6899","0.0005","10.7161","0.0003","11.3062","0.0004","90","","90","","90","","1900.96","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C72 H104 Cu4 N16 O16 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0482","0.0475","","","0.1395","0.1402","","","","","","1.143","","","","has coordinates","291082","2024-04-05","05:50:56",""
"1571408","23.6038","0.0016","12.3774","0.0009","17.1095","0.0011","90","","90","","90","","4998.6","0.6","170","","170","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C59 H44 F6 O7 S4 -","- C59 H44 F6 O7 S4 -","- C236 H176 F24 O28 S16 -","4","0.5","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","1.34139","GaKα","","0.1018","0.0667","","","0.1613","0.1835","","","","","","1.042","","","","has coordinates,has disorder","292911","2024-07-05","15:04:12",""
"1571788","14.015","0.003","20.406","0.004","25.223","0.006","90","","90","","90","","7214","3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","P5Ph","Per-phenyl-substituted pillar[5]arene","","- C48.125 H35 Cl1.25 -","- C48.125 H35 Cl1.25 -","- C385 H280 Cl10 -","8","1","","Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki","Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.","Chemical science","2024","15","27","10651","10658","10.1039/d4sc01042f","","","0.71075","MoKα","","0.093","0.087","","","0.1826","0.1863","","","","","","1.191","","","","has coordinates","293759","2024-08-05","18:03:21",""
"1571789","30.8986","0.0017","10.7331","0.0006","22.0999","0.0013","90","","90","","90","","7329.2","0.7","100","2","100.03","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H24 Cl4 -","- C48 H24 Cl4 -","- C384 H192 Cl32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1275","0.1051","","","0.2838","0.309","","","","","","1.182","","","","has coordinates","293762","2024-08-05","18:05:48",""
"1571988","15.6944","0.00018","30.4384","0.0003","17.51319","0.00016","90","","90","","90","","8366.27","0.15","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C82 H118 Mg4 N12 -","- C82 H118 Mg4 N12 -","- C328 H472 Mg16 N48 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0464","0.0371","","","0.0982","0.1056","","","","","","1.043","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1572568","14.9481","0.0007","8.4291","0.0004","21.4418","0.0011","90","","90","","90","","2701.6","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H24 Cl2 N2 Pt -","- C38 H24 Cl2 N2 Pt -","- C152 H96 Cl8 N8 Pt4 -","4","0.5","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0493","0.0345","","","0.0787","0.0876","","","","","","1.092","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572639","15.7586","0.0007","19.2635","0.0007","14.1296","0.0005","90","","90","","90","","4289.3","0.3","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au O2.5 P -","- C24 H28 Au O2.5 P -","- C192 H224 Au8 O20 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0427","0.0245","","","0.0457","0.0508","","","","","","1.016","","","","has coordinates,has disorder","296427","2024-12-06","16:55:51",""
"1572667","21.973","0.0003","19.4588","0.0004","45.8368","0.0009","90","","90","","90","","19598.4","0.6","100","2","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H66 Cu2 Fe2 P4 -","- C84 H66 Cu2 Fe2 P4 -","- C1008 H792 Cu24 Fe24 P48 -","12","1.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0488","0.0443","","","0.106","0.1087","","","","","","1.16","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572732","15.9465","0.0004","14.8115","0.0004","22.4995","0.0007","90","","90","","90","","5314.2","0.3","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H32 B2 N2 -","- C31 H32 B2 N2 -","- C248 H256 B16 N16 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0534","0.0464","","","0.1264","0.1326","","","","","","1.045","","","","has coordinates","296383","2024-12-06","16:36:16",""
"1572885","14.9838","0.0013","9.3761","0.0009","15.4285","0.0015","90","","90","","90","","2167.5","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C28 H18 Br2 O2 -","- C28 H18 Br2 O2 -","- C112 H72 Br8 O8 -","4","0.5","","Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne","Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.","Nanoscale","2024","16","46","21351","21359","10.1039/d4nr03389b","","x-ray","0.71073","MoKα","","0.0443","0.0352","","","0.0627","0.0656","","","","","","1.182","","","","has coordinates","296622","2024-12-06","20:07:51",""
"1572940","14.977","0.003","27.843","0.006","49.372","0.01","90","","90","","90","","20588","7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C182 H130 B Cl27 F4 N51.5 O20.25 Pd4 -","- C172 H116 B Cl18 F4 N48 O20 Pd4 -","- C688 H464 B4 Cl72 F16 N192 O80 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1612","0.0949","","","0.2667","0.3166","","","","","","1.041","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572941","14.916","0.003","27.009","0.005","58.19","0.012","90","","90","","90","","23443","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C379 H277 B14 Cl71 F56 N106 Pd8 -","- C339 H227 B14 Cl11 F56 N96 Pd8 -","- C678 H454 B28 Cl22 F112 N192 Pd16 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1433","0.1212","","","0.4093","0.4229","","","","","","1.605","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572958","11.9372","0.0002","14.3092","0.0002","8.8637","0.0001","90","","90","","90","","1514.02","0.04","250","2","250","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H26 Cl2 Mn N6 O -","- C6 H26 Cl2 Mn N6 O -","- C24 H104 Cl8 Mn4 N24 O4 -","4","0.5","","Radoń, Mariusz; Drabik, Gabriela; Hodorowicz, Maciej; Szklarzewicz, Janusz","Performance of Quantum Chemistry Methods for Benchmark Set of Spin–State Energetics Derived from Experimental Data of 17 Transition Metal Complexes (SSE17)","Chemical Science","2024","","","","","10.1039/D4SC05471G","","x-ray","0.71073","MoKα","","0.0303","0.0238","","","0.0632","0.0658","","","","","","1.054","","","","has coordinates","295655","2024-10-28","23:07:30",""
"1573003","31.326","0.003","23.4652","0.0019","24.275","0.002","90","","90","","90","","17844","3","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H21 As3 Mo10 N3 O41 Se -","- C18 H21 As3 Mo10 N3 O41 Se -","- C144 H168 As24 Mo80 N24 O328 Se8 -","8","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0759","0.0619","","","0.1647","0.1721","","","","","","1.078","","","","has coordinates","295751","2024-11-04","11:12:18",""
"1573297","22.317","0.003","21.114","0.002","21.952","0.003","90","","90","","90","","10344","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H96 Cl20 P4 Pt2 -","- C92 H96 Cl20 P4 Pt2 -","- C368 H384 Cl80 P16 Pt8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0856","0.0598","","","0.1282","0.1403","","","","","","1.176","","","","has coordinates,has disorder","296122","2024-11-26","23:10:23",""
"1573425","16.9059","0.0006","10.6492","0.0004","18.4816","0.0009","90","","90","","90","","3327.3","0.2","170","0.1","170.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H9 Eu N3 O12 -","- C21 H9 Eu N3 O12 -","- C84 H36 Eu4 N12 O48 -","4","0.5","","Shi, Bojun; Jia, Hao; Chen, Lingfang; Zhang, Shuchun; Zhang, Yu; Yin, Baipeng; Bai, Shuming; Zhang, Chuang","Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions","Chemistry","2024","6","6","1415","1426","10.3390/chemistry6060084","","","0.71073","MoKα","","0.0352","0.0309","","","0.074","0.0759","","","","","","1.095","","","","has coordinates","296740","2024-12-07","02:54:32",""
"2000263","16.439","0.003","9.448","0.002","7.478","0.002","90","","90","","90","","1161.5","0.4","","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.5","ST0509","Huang, N.-T.; Pennington, W. T.; Petersen, J. D.","Structure of 2,3-bis(2-pyridyl)pyrazine","Acta Crystallographica Section C","1991","47","9","2011","2012","10.1107/S010827019100272X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000317","18.829","0.003","8.809","0.003","20.969","0.003","90","","90","","90","","3478","1.4","","","","","","","","","","","","5","P b c n","","","","","","- C16 H15 Cl3 O Te -","- C16 H15 Cl3 O Te -","- C128 H120 Cl24 O8 Te8 -","8","1","LI0056","Zukerman-Schpector, J.; Castellano, E. E.; Oliva, G.; Comasseto, J. V.; Stefani, H. A.","Structure of dichloro[(<i>Z</i>)-2-chloro-2-<i>p</i>-tolylvinyl](<i>p</i>-methoxyphenyl)tellurium(VI)","Acta Crystallographica Section C","1991","47","5","960","962","10.1107/S0108270190012288","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2000406","22.521","0.006","10.809","0.003","9.509","0.002","90","","90","","90","","2314.8","1","298","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","LI1009","Yeap, G.-Y.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Yip, B.-C.","Structure of 4-[(4-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section C","1992","48","12","2257","2258","10.1107/S0108270192008035","","","0.71069","MoKα","","","0.0454","","","0.0493","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000530","18.917","0.01","11.843","0.008","13.177","0.007","90","","90","","90","","2952","3","","","","","","","","","","","","3","P b c n","","","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","CR0397","Meyers, C. Y.; Tunnell, J. L.; Robinson, P. D.; Hua, D. H.; Saha, S.","Structure of <i>sp</i>-9-hydroxy-9-pivaloylfluorene, product of base-catalyzed autoxidation of <i>ap</i>-9-pivaloylfluorene","Acta Crystallographica Section C","1992","48","10","1815","1818","10.1107/S0108270192002014","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000752","12.413","0.003","14.645","0.003","12.287","0.002","90","","90","","90","","2233.6","0.8","","","","","","","","","","","","6","P b c n","","","","","","- C20 H16 Cl2 Cu N4 O8 -","- C20 H16 Cl2 Cu N4 O8 -","- C80 H64 Cl8 Cu4 N16 O32 -","4","0.5","AS0546","Chen, C.; Xu, D.; Xu, Y.; Cheng, C.; Ling, R.","Structure of <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-μ-4,4'-bipyridyl]","Acta Crystallographica Section C","1992","48","7","1231","1233","10.1107/S0108270191014361","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000771","6.105","0.002","16.634","0.003","14.356","0.003","90","","90","","90","","1457.9","0.6","","","","","","","","","","","","4","P b c n","","","","","","- C18 H15 F2 P -","- C18 H15 F2 P -","- C72 H60 F8 P4 -","4","0.5","HH0563","Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R.","Structure of difluorotriphenylphosphorane","Acta Crystallographica Section C","1992","48","7","1288","1290","10.1107/S0108270191014889","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000863","4.752","0.001","11.721","0.004","4.971","0.001","90","","90","","90","","276.88","0.12","","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- F4 In Li -","- F4 In Li -","- F16 In4 Li4 -","4","0.5","DU0320","Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P.","Structure of lithium tetrafluoroindate","Acta Crystallographica Section C","1992","48","5","769","771","10.1107/S0108270191011915","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000905","26.085","0.007","7.211","0.002","13.653","0.006","90","","90","","90","","2568.1","1.5","","","","","","","","","","","","3","P b c n","","","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","1","PA0239","Rodier, N.; Zhang, Y. M.; Mayrargue, J.","Spiro[(2,3-époxycyclohexane)-1:4'-(2',3'-dihydro-8'-méthoxybenzo-4<i>H</i>-pyranne)]","Acta Crystallographica Section C","1992","48","5","885","887","10.1107/S0108270191011605","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000922","7.366","0.003","12.006","0.004","20.601","0.005","90","","90","","90","","1821.9","1.1","","","","","","","","","","","","4","P b c n","","","","","","- C21 H13 Br2 N3 -","- C21 H13 Br2 N3 -","- C84 H52 Br8 N12 -","4","0.5","HA0084","Constable, E. C.; Khan, F. K.; Marquez, V. E.; Raithby, P. R.","6,6''-Dibromo-4'-phenyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","1992","48","5","932","934","10.1107/S0108270191012015","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001044","11.742","0.004","11.291","0.003","10.404","0.003","90","","90","","90","","1379.4","0.7","","","","","","","","","","","","6","P b c n","-P 2n 2ab","","","","","- C6 H18 Co I2 N2 O2 -","- C6 H18 Co I2 N2 O2 -","- C24 H72 Co4 I8 N8 O8 -","4","0.5","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001046","11.27","0.003","11.053","0.003","10.206","0.003","90","","90","","90","","1271.3","0.6","","","","","","","","","","","","6","P b c n","-P 2n 2ab","","","","","- C6 H18 Br2 N2 O2 Zn -","- C6 H18 Br2 N2 O2 Zn -","- C24 H72 Br8 N8 O8 Zn4 -","4","0.5","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001208","16.012","0.002","8.7156","0.0011","19.13","0.003","90","","90","","90","","2669.7","0.6","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H40 Ag Cl2 N4 O10 -","- C16 H40 Ag Cl2 N4 O10 -","- C64 H160 Ag4 Cl8 N16 O40 -","4","0.5","HH1059","Po, H. N.; Shen, S.-C.; Doedens, R. J.","Structure of (<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)silver(II) diperchlorate dihydrate","Acta Crystallographica Section C","1993","49","11","1914","1916","10.1107/S0108270193004342","","","0.71073","MoKα","","","0.0535","","","0.0729","","","","","2.51","2.51","","","","","has coordinates","198642","2020-10-21","18:00:00",""
"2001239","15.885","0.004","7.804","0.001","10.504","0.001","90","","90","","90","","1302.1","0.4","291","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","Dimethyl 2,2'-Bipyridine-3,3'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","0.5","AL1057","Rice, C. R.; Robinson, K. J.; Wallis, J. D.","Intramolecular interactions in dimethyl 2,2'-bipyridine-3,3'-dicarboxylate","Acta Crystallographica Section C","1993","49","11","1980","1982","10.1107/S0108270193005931","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001317","21.972","0.002","9.2992","0.0006","12.486","0.001","90","","90","","90","","2551.2","0.4","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","AB1054","Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.","Structures of two hexacyclic cage diketone monoacetals","Acta Crystallographica Section C","1993","49","10","1859","1862","10.1107/S0108270193003865","","","0.71073","MoKα","","","0.044","","","0.045","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001323","14.276","0.001","10.984","0.002","17.117","0.003","90","","90","","90","","2684.1","0.7","299","2","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.054","","","0.033","","","","","2.33","2.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001775","10.617","0.009","6.977","0.008","27.65","0.02","90","","90","","90","","2048","3","","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C2 H10 Na3 O10 P -","- C2 H8 Na3 O11 P -","- C16 H64 Na24 O88 P8 -","8","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","1.5618","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001846","18.643","0.007","12.616","0.003","7.127","0.003","90","","90","","90","","1676.3","1","","","","","","","","","","","","5","P b c n","","","","","","- C13 H19 Mn N9 O2 -","- C13 H19 Mn N9 O2 -","- C52 H76 Mn4 N36 O8 -","4","0.5","MU0301","Brooker, S.; McKee, V.","Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine","Acta Crystallographica Section C","1993","49","3","441","445","10.1107/S0108270192007157","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002018","10.609","0.004","13.705","0.007","23.535","0.006","90","","90","","90","","3422","2","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C38 H28 N3 O6 P3 -","- C38 H28 N3 O6 P3 -","- C152 H112 N12 O24 P12 -","4","0.5","AS1012","Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.","Structure of 1:1 clathrate between tris(2,3-naphthalenedioxy)cyclotriphosphazene and <i>p</i>-xylene","Acta Crystallographica Section C","1993","49","2","404","406","10.1107/S0108270192009089","","","1.54178","CuKα","","","0.041","","","0.0484","","","","","2.24","2.24","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2002115","14.113","0.002","5.693","0.001","5.025","0.001","90","","90","","90","","403.7","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zinc vanadium niobium oxide (1/.24/1.76/6)","","- Nb1.76 O6 V0.24 Zn -","- Nb1.76 O6 V0.24 Zn -","- Nb7.04 O24 V0.96 Zn4 -","4","0.5","","Waburg, M; M, ller-Buschbaum H K","Kristallchemische Untersuchungen an den Phasen: (I) Zn (V.~12~ Nb~.88~)~2~ O~6~, (II) Zn (V.~28~ Ta~.72~)~2~ O~6~ und (III) Zn (Nb~.58~ Ta~.42~)~2~ O~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","542","","31","36","10.1002/zaac.19865421106","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002124","4.73","0.002","17.15399","0.005","5.093","0.002","90","","90","","90","","413.2","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Manganese zinc tantalum oxide (0.33/0.67/2/6)","","- Mn0.333 O6 Ta2 Zn0.667 -","- Mn0.333 O6 Ta2.001 Zn0.666 -","- Mn1.332 O24 Ta8.004 Zn2.664 -","4","0.5","","Rohweder, U; Mueller-Buschbaum, Hk","Geordnete und ungeordnete Metallverteilung in Mn Zn2 Ta2 O8 und Mn0.33 Zn0.67 Ta2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","572","","102","108","10.1002/zaac.19895720112","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002311","4.702","","17.09399","","5.07","","90","","90","","90","","407.5","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Zinc ditantalum oxide","","- O6 Ta2 Zn -","- O6 Ta2 Zn -","- O24 Ta8 Zn4 -","4","0.5","","Waburg, M.; Müller-Buschbaum, Hk.","ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~)","Zeitschrift für Anorganische und Allgemeine Chemie","1984","508","1","55","60","10.1002/zaac.19845080109","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"2002312","14.208","","5.726","","5.04","","90","","90","","90","","410","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Zinc diniobium oxide","","- Nb2 O6 Zn -","- Nb2 O6 Zn -","- Nb8 O24 Zn4 -","4","0.5","","Waburg, M.; Müller-Buschbaum, Hk.","ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~)","Zeitschrift für Anorganische und Allgemeine Chemie","1984","508","1","55","60","10.1002/zaac.19845080109","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"2002316","14.032","","5.687","","5.033","","90","","90","","90","","401.6","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Nickel diniobium oxide","","- Nb2 Ni O6 -","- Nb2 Ni O6 -","- Nb8 Ni4 O24 -","4","0.5","","Wichmann, R; Mueller-Buschbaum, Hk","Synthese und Untersuchung von Ni Nb2 O6-Einkristallen mit Columbit - und Rutilstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","503","","101","105","10.1002/zaac.19835030810","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002361","4.71","0.002","17.103","0.004","5.072","0.003","90","","90","","90","","408.6","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zinc niobium tantalum oxide (1/1.16/0.84/6)","","- Nb1.16 O6 Ta0.84 Zn -","- Nb1.15 O6 Ta0.85 Zn -","- Nb4.6 O24 Ta3.4 Zn4 -","4","0.5","","Waburg, M; Mueller-Buschbaum, Hk","Kristallchemische Untersuchungen an den Phasen: (I) Zn (V0.12 Nb0.88)2 O6, (II) Zn (V0.28 Ta0.72)2 O6 und (III) Zn (Nb0.58 Ta0.42)2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","542","","31","36","10.1002/zaac.19865421106","","","","","","0.107","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002838","20.842","0.006","13.471","0.003","11.838","0.009","90","","90","","90","","3323.7","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Barium cadmium vanadate (2.5/11/9)","","- Ba2.5 Cd11 O36 V9 -","- Ba2.5 Cd11 O36 V9 -","- Ba10 Cd44 O144 V36 -","4","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Ueber ein cadmiumreiches Orthovanadat Ba2.5 Cd11 (V O4)9 mit Cadmium in oktaedrischer und tetragonal pyramidaler Koordination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","989","993","","","","","","","0.0769","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003436","9.1937","0.0007","11.121","0.001","20.014","0.001","90","","90","","90","","2046.3","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ce Mo8 O14 -","- Ce Mo8 O14 -","- Ce8 Mo64 O112 -","8","1","DU1086","Kerihuel, G.; Gougeon, P.","CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","5","787","790","10.1107/S0108270194010681","","","0.71073","MoKα","","","0.04","","","0.042","","","","","1.582","1.582","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003603","15.279","0.006","16.864","0.006","10.424","0.003","90","","90","","90","","2685.9","1.6","293","","","","","","","","","","Synthese in unserem Labor, Kristalle aus THF/n-Hexan","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cl4 N5 O2 P3 -","- C22 H26 Cl4 N5 O2 P3 -","- C88 H104 Cl16 N20 O8 P12 -","4","0.5","SE1074","Diefenbach, U.; Allcock, H. R.; Visscher, K. B.","Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren","Acta Crystallographica Section C","1995","51","6","1215","1218","10.1107/S0108270194013636","","","0.71073","MoKα","","","0.054","","","0.041","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003724","43.851","0.008","9.588","0.001","8.788","0.002","90","","90","","90","","3694.9","1.1","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","sodium cyclododecanephosphonic acid monoethylester trihydrate","","- C14 H34 Na O6 P -","- C14 H34 Na O6 P -","- C112 H272 Na8 O48 P8 -","8","1","SE1077","Rudert, R.; Czichocki, G.; Weiland, B.; Vollhardt, D.","Sodium Cyclododecylphosphonic Acid Monoethyl Ester Trihydrate","Acta Crystallographica Section C","1995","51","7","1252","1254","10.1107/S0108270195000412","","","1.54184","CuKα","","","0.06","","","0.069","","","","","2.518","2.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003899","16.381","0.005","6.111","0.001","5.896","0.001","90","","90","","90","","590.2","0.2","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","Lead(II) hydrogenselenite","Lead(II) bis(hydrogenselenate(IV))","","- H2 O6 Pb Se2 -","- O6 Pb Se2 -","- O24 Pb4 Se8 -","4","0.5","HU1127","Koskenlinna, M.; Valkonen, J.","Lead(II) Hydrogenselenite","Acta Crystallographica Section C","1995","51","9","1737","1739","10.1107/S0108270195003441","","","0.71073","MoKα","","","0.032","","","0.04","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004149","7.286","0.002","7.408","0.002","30.52","0.01","90","","90","","90","","1647.3","0.8","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","KH1005","Huang, X.-Y.; Ye, Q.; Meng, Q.-J.; You, X.-Z.","4,4'-Oxydianilinium Tetrachlorocadmate(II), an Intercalation Compound","Acta Crystallographica Section C","1995","51","11","2285","2287","10.1107/S0108270195005762","","","0.71069","MoKα","","","0.041","","","0.054","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004331","8.653","0.002","20.225","0.004","14.724","0.003","90","","90","","90","","2576.8","0.9","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O4 -","- C14 H9 Cl2 N O4 -","- C112 H72 Cl16 N8 O32 -","8","1","AB1148","Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A.","4,4'-Dichloro-2,2'-iminodibenzoic Acid","Acta Crystallographica Section C","1996","52","1","166","168","10.1107/S0108270195008572","","","1.54178","CuKα","","","0.056","","","0.0747","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004370","14.341","0.005","12.451","0.007","23.866","0.013","90","","90","","90","","4262","4","293","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H72 Cl2 Cu3 N8 O5 -","- C30 H76 Cl2 Cu3 N8 O6 -","- C120 H304 Cl8 Cu12 N32 O24 -","4","0.5","CF1030","Wang, S.","Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule","Acta Crystallographica Section C","1996","52","1","41","43","10.1107/S0108270195009462","","","0.71073","MoKα","","","0.068","","","0.052","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004419","13.224","0.002","10.058","0.001","17.423","0.002","90","","90","","90","","2317.4","0.5","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Cu N6 S2 -","- C26 H16 Cu N6 S2 -","- C104 H64 Cu4 N24 S8 -","4","0.5","MU1208","Parker, O. J.; Aubol, S. L.; Breneman, G. L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1996","52","1","39","41","10.1107/S0108270195009887","","","0.71073","MoKα","","","0.04","","","0.07","","","","","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004530","11.1558","0.0008","11.574","0.001","9.68","0.002","90","","90","","90","","1249.9","0.3","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.04","","","0.034","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004541","15.899","0.001","12.272","0.002","10.618","0.001","90","","90","","90","","2071.7","0.4","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H29 N O2 -","- C24 H34 N O2 -","- C96 H136 N4 O8 -","4","0.5","SZ1019","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1996","52","2","481","483","10.1107/S0108270195010171","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004588","20.348","0.004","13.501","0.002","11.701","0.003","90","","90","","90","","3214.5","1.1","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","[bis(3-methylthiazolinylidene)]gold(I) trifluoromethanesulfonate","","- C9 H10 Au F3 N2 O3 S3 -","- C9 H10 Au F3 N2 O3 S3 -","- C72 H80 Au8 F24 N16 O24 S24 -","8","1","CF1002","Kruger, G. J.; Olivier, P. J.; Raubenheimer, H. G.","Bis(3-methyl-1,3-thiazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","3","624","626","10.1107/S0108270195011152","","","0.71069","MoKα","","0.296","0.066","","0.071","0.054","","","","2.51","2.948","2.948","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004652","12.0135","0.0007","4.339","0.002","6.5864","0.0004","90","","90","","90","","343.33","0.16","293","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- B2 O4 Sr -","- B2 O4 Sr -","- B8 O16 Sr4 -","4","0.5","OH1085","Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H.","Strontium Metaborate, SrB~2~O~4~","Acta Crystallographica Section C","1996","52","3","498","500","10.1107/S0108270195010341","","","0.71073","MoKα","","","0.0504","","","0.0551","","","","","1.5271","1.5271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004695","15.683","0.002","8.888","0.002","12.653","0.003","90","","90","","90","","1763.7","0.6","296","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis(1-H-3-methyl-4-amine-5-thione-1,2,4-triazole)nickel(II) nitrate","","- C6 H16 N10 Ni O8 S2 -","- C6 H16 N10 Ni O8 S2 -","- C24 H64 N40 Ni4 O32 S8 -","4","0.5","BK1184","Sen, A. K.; Dubey, S. N.; Squattrito, P. J.","Diaquabis(4-amino-3-methyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)nickel(II) Nitrate: a Sulfur‒Nitrogen Chelate","Acta Crystallographica Section C","1996","52","4","865","868","10.1107/S010827019501496X","","","0.7107","MoKα","","0.0673","0.035","","0.0355","0.033","","","","","2.166","2.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004895","20.054","0.004","13.005","0.003","9.611","0.002","90","","90","","90","","2506.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)","","- C26 H22 Cu N4 O6 -","- C26 H22 Cu N4 O6 -","- C104 H88 Cu4 N16 O24 -","4","0.5","KA1172","Leban, I.; Segedin, P.; Gruber, K.","Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","5","1096","1098","10.1107/S0108270195017240","","","0.71073","MoKα","","0.1098","0.0531","","0.1785","0.1224","","","","1.074","1.063","1.063","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005242","15.557","0.009","13.138","0.004","17.899","0.005","90","","90","","90","","3658","3","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C168 H176 N16 O16 -","8","1","FG1159","Gong, Y.; Robinson, P. D.; Bausch, M. J.","5,5-Diethyl-1-methyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>-pyrimidine-2-spiro-9'-fluorene-4,6-dione","Acta Crystallographica Section C","1996","52","8","2081","2084","10.1107/S0108270196001485","","","0.71069","MoKα","","","0.048","","","0.044","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005373","7.577","0.001","22.058","0.003","15.098","0.002","90","","90","","90","","2523.4","0.6","293","1","293","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","trans-dichlorotetra(pyridine)molybdenum(III) tribromide","","- C20 H20 Br3 Cl2 Mo N4 -","- C20 H20 Br3 Cl2 Mo N4 -","- C80 H80 Br12 Cl8 Mo4 N16 -","4","0.5","JZ1125","Rotar, R.; Leban, I.; Brenčič, J. V.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide","Acta Crystallographica Section C","1996","52","9","2155","2157","10.1107/S0108270196005628","","","0.71073","MoKα","","0.119","0.0525","","0.1327","0.1052","","","","1.024","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005408","17.242","0.004","15.244","0.003","11.406","0.005","90","","90","","90","","2997.9","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne","","- C26 H48 O2 Si2 -","- C26 H48 O2 Si2 -","- C104 H192 O8 Si8 -","4","0.5","NA1231","Boss, C.; Keese, R.; Förtsch, M.","Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne","Acta Crystallographica Section C","1996","52","9","2370","2372","10.1107/S0108270196004891","","","0.71069","MoKα","","0.1019","0.0435","","0.1454","0.118","","","","1.091","1.206","1.206","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005461","11.447","0.001","12.989","0.001","24.881","0.001","90","","90","","90","","3699.4","0.5","294","","","","","","","","","","","5","P b c n","","","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C160 H192 N16 O24 S8 -","8","1","BK1153","Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A.","<i>cis</i>-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one","Acta Crystallographica Section C","1996","52","10","2595","2597","10.1107/S0108270196005070","","","0.7093","MoKα","","","0.0486","","","0.1087","","","","","1.205","1.205","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005477","9.2065","0.0004","11.1298","0.0009","20.0264","0.0008","90","","90","","90","","2052","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- La Mo8 O14 -","- La Mo8 O14 -","- La8 Mo64 O112 -","8","1","BR1140","Kerihuel, G.; Tortelier, J.; Gougeon, P.","LaMo~8~O~14~","Acta Crystallographica Section C","1996","52","10","2389","2393","10.1107/S010827019600532X","","","0.71073","MoKα","","0.0562","0.0365","","0.0816","0.0772","","","","1.142","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005549","16.68","0.001","8.886","0.001","8.054","0.001","90","","90","","90","","1193.8","0.2","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","diethyl 2,5-dihydroxyterephthalate","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","SK1017","Näther, C.; Bock, H.; Seitz, W.; Nagel, N.","Diethyl 2,5-Dihydroxyterephthalate at 200K","Acta Crystallographica Section C","1996","52","10","2631","2633","10.1107/S0108270196005306","","","0.71073","MoKα","","0.0575","0.0377","","0.1185","0.1066","","","","1.04","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005650","12.578","0.002","12.848","0.002","11.505","0.002","90","","90","","90","","1859.2","0.5","291","","291","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[N,N'-bis(2-thiobenzenylidene)1,2-dimethyl-4,5-phenylenediaminato]nickel(II)","","- C22 H18 N2 Ni S2 -","- C22 H18 N2 Ni S2 -","- C88 H72 N8 Ni4 S8 -","4","0.5","KH1114","Henderson, R. K.; Bouwman, E.; Reedijk, J.; Powell, A. K.","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-dimethyl-4,5-phenylenediaminato]nickel(II), Ni(tsaldimph)","Acta Crystallographica Section C","1996","52","11","2696","2698","10.1107/S0108270196009778","","","0.71073","MoKα","","0.0584","0.0328","","0.0498","0.0454","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005722","40.877","0.002","6.96","0.003","7.371","0.002","90","","90","","90","","2097.1","1.1","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","3-phenylsalicylic acid","2-hydroxybiphenyl-3-carboxylic acid","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","BK1266","Dobson, A. J.; Gerkin, R. E.","2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid)","Acta Crystallographica Section C","1996","52","12","3088","3091","10.1107/S0108270196010530","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006379","14.997","0.006","12.898","0.009","14.743","0.014","90","","90","","90","","2852","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(1,8-naphthalenedicarboximido)benzonitrile, or N-(3-benzonitrile)-1,8-naphthalimide or strict IUPAC name 3-(1,3-dioxo-2,3-dihydro-1H-naphtho-[1,8-cd]- azin-2yl)benzonitrile","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C152 H80 N16 O16 -","8","1","FG1259","Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim","3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~","Acta Crystallographica Section C","1997","53","8","1117","1119","10.1107/S0108270197003727","","","0.71073","MoKα","","0.1431","0.0682","","0.1626","0.1373","","","","0.926","1.208","1.208","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006652","17.366","0.003","8.196","0.002","20.999","0.004","90","","90","","90","","2988.8","1.1","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","BS1041","De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~","Acta Crystallographica Section C","1997","53","11","1647","1648","10.1107/S0108270197009517","","","0.71073","MoKα","","0.0631","0.0334","","0.0751","0.0694","","","","0.875","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006679","13.8946","0.0008","16.513","0.0001","6.4276","0.0004","90","","90","","90","","1474.76","0.13","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","N,N'-(dimethylthiourea)gold(I) perchlorate","","- C6 H16 Au Cl N4 O4 S2 -","- C6 H16 Au Cl N4 O4 S2 -","- C24 H64 Au4 Cl4 N16 O16 S8 -","4","0.5","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.0325","0.0324","","0.1097","0.1096","","","","1.252","1.255","1.255","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006940","10.747","0.002","27.457","0.004","17.837","0.003","90","","90","","90","","5263.3","1.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-chloro-bis[ethylene-bis(diethylphosphine)]hydrido-iron(II)","","- C20 H49 Cl Fe P4 -","- C20 H49 Cl Fe P4 -","- C160 H392 Cl8 Fe8 P32 -","8","1","LN1021","Wiesler, Beatrix; Tuczek, Felix; Näther, Christian; Bensch, Wolfgang","[FeHCl(C~10~H~24~P~2~)~2~]","Acta Crystallographica Section C","1998","54","1","44","46","10.1107/S0108270197012754","","","0.71073","MoKα","","0.0823","0.0474","","0.1568","0.126","","","","1.073","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006975","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","","Barbier, Jacques; Lévy, David","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","","02","05","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007145","27.634","0.002","8.122","0.004","15.741","0.003","90","","90","","90","","3533","1.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","3',3''-dinitrophenolphthalein","","","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","- C160 H96 N16 O64 -","8","1","BK1369","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenolphthalein and 3',3''-Dinitrophenolphthalein","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","4","535","539","10.1107/s0108270197015771","","","0.71073","MoKα","","","0.05","","","","0.122","","","","","","1.1","","","","has coordinates","209653","2020-10-21","18:00:00",""
"2007159","11.253","0.001","13.033","0.001","17.563","0.002","90","","90","","90","","2575.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(1,10-Phenantholine)-copper(ii) tetrathionate","","- C24 H16 Cu N4 O6 S4 -","- C24 H16 Cu N4 O6 S4 -","- C96 H64 Cu4 N16 O24 S16 -","4","0.5","FG1333","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate","Acta Crystallographica Section C","1998","54","4","464","468","10.1107/S0108270197016284","","","0.71073","MoKα","","0.1011","0.0556","","0.1803","0.1422","","","","0.951","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007231","19.037","0.006","9.548","0.003","12.089","0.004","90","","90","","90","","2197.4","1.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","FULGID-1","2,3-diphenylbenzylidenesuccinic anhydride","","- C30 H20 O3 -","- C30 H20 O3 -","- C120 H80 O12 -","4","0.5","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71069","MoKα","","0.1608","0.0868","","0.313","0.1742","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007470","7.7068","0.0011","10.1645","0.0012","9.691","0.002","90","","90","","90","","759.2","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.048","0.035","","0.088","0.079","","","","1.147","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007471","10.175","0.002","9.6082","0.0014","9.577","0.002","90","","90","","90","","936.3","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.084","0.043","","0.125","0.103","","","","1.042","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007611","9.747","0.002","10.648","0.002","15.418","0.003","90","","90","","90","","1600.2","0.5","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","phenyl vinylsulfone","","- C8 H8 O2 S -","- C8 H8 O2 S -","- C64 H64 O16 S8 -","8","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.039","0.03","","","","0.087","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007626","22.036","0.004","9.243","0.002","19.816","0.003","90","","90","","90","","4036.1","1.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bistitanium (IV) tetraisopropoxide di-μ-isopropoxide di-2,4,6-trimethylphenoxide","","- C36 H64 O8 Ti2 -","- C36 H64 O8 Ti2 -","- C144 H256 O32 Ti8 -","4","0.5","HA1214","James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","[Ti~2~(O-2,4,6-Me~3~C~6~H~2~)~2~(O^<i>i^</i>Pr)~4~(μ-O^<i>i^</i>Pr)~2~]","Acta Crystallographica Section C","1998","54","9","1261","1263","10.1107/S0108270198003461","","","0.71073","MoKα","","0.1","0.056","","0.172","0.15","","","","0.977","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007885","11.8","0.002","16.538","0.004","12.565","0.003","90","","90","","90","","2452","0.9","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N3 O2.5 -","- C13 H12 N3 O2.5 -","- C104 H96 N24 O20 -","8","1","BM1204","Wang, Zuoxiang; Jian, Fangfang; Duan, Chunying; Bai, Zhiping; You, Xiaozeng","2-(2-Hydroxybenzylidene)-1-(2-picoloyl)hydrazine Hemihydrate","Acta Crystallographica Section C","1998","54","12","1927","1929","10.1107/S0108270198003527","","","0.71073","MoKα","","0.138","0.065","","0.227","0.16","","","","1.083","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007933","16.12","0.002","15.959","0.002","14.9294","0.0019","90","","90","","90","","3840.7","0.8","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate","","- C24 H17 B N2 O4 -","- C24 H17 B N2 O4 -","- C192 H136 B8 N16 O32 -","8","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.095","0.055","","","","0.177","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007997","23.553","0.0005","5.3933","0.0001","22.9996","0.0003","90","","90","","90","","2921.6","0.09","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","(E)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C136 H144 O32 -","8","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0533","0.0435","","0.1206","0.1096","","","","1.075","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008196","21.935","0.001","11.4354","0.0007","9.9743","0.0006","90","","90","","90","","2501.9","0.2","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[2-(dimethylamino)ethylaminomethyl]-4-chlorophenol","","- C11 H17 Cl N2 O -","- C11 H17 Cl N2 O -","- C88 H136 Cl8 N16 O8 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.041","","","0.046","","","","","","","1.295","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008246","14.5297","0.0016","8.2314","0.0014","14.3684","0.0018","90","","90","","90","","1718.5","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl2 N2 Ni S2 -","- C14 H16 Cl2 N2 Ni S2 -","- C56 H64 Cl8 N8 Ni4 S8 -","4","0.5","FG1490","Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1999","55","3","318","320","10.1107/S010827019801422X","","","0.71073","MoKα","","0.0445","0.03","","","0.0641","0.0694","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008266","4.5686","0.0001","15.7687","0.0002","20.1621","0.0004","90","","90","","90","","1452.5","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Aminopyrimidine and p-phenylenediacetic acid","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","0.5","HA1242","Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam","2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal","Acta Crystallographica Section C","1999","55","3","399","401","10.1107/S0108270198013626","","","0.71073","MoKα","","0.116","0.059","","","","0.161","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008434","19.3111","0.0012","7.5851","0.0004","15.514","0.0008","90","","90","","90","","2272.4","0.2","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- H4 Mo4 O15 Sr -","- H4 Mo4 O15 Sr -","- H32 Mo32 O120 Sr8 -","8","1","TA1224","Harrison, William T. A.","Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O","Acta Crystallographica Section C","1999","55","4","485","487","10.1107/S0108270198013602","","","0.71073","MoKα","","","0.031","","","0.022","","","","","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008459","14.415","0.001","6.693","0.001","31.692","0.002","90","","90","","90","","3057.6","0.5","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[3-(Tosyloxy)-ethoxy]benzaldehyde hemihydrate","","- C16 H17 O5.5 S -","- C16 H17 O5.5 S -","- C128 H136 O44 S8 -","8","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.07","0.043","","","","0.097","","","","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008644","13.492","0.0002","9.6317","0.0001","16.9975","0.0003","90","","90","","90","","2208.84","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis-1,10-phenanthroline manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","0.5","SK1267","Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng","Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","6","901","903","10.1107/S010827019900181X","","","0.71073","MoKα","","0.048","0.037","","","","0.118","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008737","12.8678","0.0005","11.4996","0.0004","10.0894","0.0003","90","","90","","90","","1492.97","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Copper(I) complex of 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetra-hydro- 1,2,4-triazine","","- C8 H12 Cl Cu N8 O2 S2 -","- C8 H12 Cl Cu N8 O2 S2 -","- C32 H48 Cl4 Cu4 N32 O8 S8 -","4","0.5","SK1282","Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao","A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","1999","55","7","1092","1093","10.1107/S0108270199003893","","","0.71073","MoKα","","0.052","0.035","","","","0.08","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008902","14.898","0.001","9.19","0.002","15.525","0.002","90","","90","","90","","2125.6","0.6","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 O6 -","- C22 H25.998 O6 -","- C88 H103.992 O24 -","4","0.5","FR1207","Dobson, Allison J.; Gerkin, Roger E.","C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1496","1499","10.1107/S0108270199007891","","","0.71073","MoKα","","","0.055","","","","0.074","","","","","","1.35","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008931","24.83","0.002","9.642","0.002","9.176","0.006","90","","90","","90","","2196.8","1.5","293.2","","293.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","KA1327","Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan","3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate","Acta Crystallographica Section C","1999","55","9","1508","1511","10.1107/S0108270199007192","","","0.7107","MoKα","","0.088","0.05","","","","0.16","","","","","","0.96","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009026","11.138","0.002","18.801","0.004","19.121","0.004","90","","90","","90","","4004","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(μ-acetato)-2,6-bis[(2-hydroxybenzyl)(2-pyridylmethyl)aminomethyl)- 4-methylphenolato)-di-indium(III) Nitrate DihydratE","","- C39 H43 In2 N5 O12 -","- C39 H43 In2 N5 O12 -","- C156 H172 In8 N20 O48 -","4","0.5","GD1031","Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo","Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate","Acta Crystallographica Section C","1999","55","10","1634","1636","10.1107/S0108270199008252","","","0.71073","MoKα","","0.073","0.036","","","","0.107","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009056","9.929","0.003","8.895","0.002","14.482","0.004","90","","90","","90","","1279","0.6","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H12 O8 -","- C12 H12 O8 -","- C48 H48 O32 -","4","0.5","QA0166","Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.","A cyclic dimer of ethyleneglycol maleate","Acta Crystallographica Section C","1999","55","10","IUC9900115","","10.1107/S0108270199098704","","","0.7107","MoKα","","0.0571","0.0361","","","","0.1085","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009187","28.194","0.001","9.5793","0.0004","6.905","0.0003","90","","90","","90","","1864.89","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","SK1301","Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun","5-Nitroisophthalic acid hydrate","Acta Crystallographica Section C","1999","55","11","1845","1847","10.1107/S0108270199009105","","","0.71073","MoKα","","0.105","0.056","","","","0.127","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009382","13.9571","0.0007","9.8457","0.0008","15.231","0.002","90","","90","","90","","2093","0.3","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 N6 Ni O2 -","- C22 H16 N6 Ni O2 -","- C88 H64 N24 Ni4 O8 -","4","0.5","HA1051","Karmele Urtiaga, M.; Pizarro, J.L.; Cortes, R.; Goñi, A.; Larramendi, J.I.R.","Structure of bis(2,2'-bipyridyl)diisocyanatonickel(II)","Acta Crystallographica Section C","1994","50","1","56","58","10.1107/S0108270193006547","","","0.71069","MoKα","","","0.0395","","","0.0407","","","","","1.53","1.53","","","","","has coordinates","198846","2020-10-21","18:00:00",""
"2009405","14.84","0.001","19.592","0.001","17.716","0.001","90","","90","","90","","5150.8","0.5","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","{Tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) tetrafluoroborate","","- C21 H24 B Cu F4 N4 S3 -","- C21 H24 B Cu F4 N4 S3 -","- C168 H192 B8 Cu8 F32 N32 S24 -","8","1","MU1057","Gallagher, John F.; Alyea, Elmer C.; Ferguson, George; Xu Zheng","Structure of the copper tripodal Schiff base complex {tris[4-(2-thienyl)-3-aza-κ<i>N</i>-3-butenyl]amine-κ<i>N</i>}copper(I) tetrafluoroborate","Acta Crystallographica Section C","1994","50","1","16","18","10.1107/S0108270193007176","","","0.71073","MolybdenumKα","","0.155","0.04","","0.066","0.047","","","","","1.3","1.3","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009496","17.723","0.003","15.126","0.003","14.796","0.003","90","","90","","90","","3966.5","1.3","221","3","221","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2'-bipyridyl meso-oxolane-3,4-diolato(2-) palladium(II) 6.5-hydrate","","- C14 H27 N2 O9.5 Pd -","- C14 H27 N2 O9.5 Pd -","- C112 H216 N16 O76 Pd8 -","8","1","SH1065","Achternbosch, Matthias; Klüfers, Peter","Polyol metal complexes. V. Structure of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')[<i>meso</i>-oxolane-3,4-diolato(2‒)-κ^2^<i>O</i>,<i>O</i>']palladium(II) 6.5-hydrate","Acta Crystallographica Section C","1994","50","2","175","178","10.1107/S0108270193007322","","","0.71069","MoKα","","0.0539","0.0266","","0.0704","0.0618","","","","1.046","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009590","25.3136","0.0015","6.0161","0.0007","11.3754","0.0012","90","","90","","90","","1732.3","0.3","298","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C6 H12 N2 Pt -","- C6 H6 N2 Pt -","- C48 H48 N16 Pt8 -","8","1","BR1043","Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.","Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)","Acta Crystallographica Section C","1994","50","4","533","536","10.1107/S010827019301025X","","","1.54184","CuKα","","","0.0239","","","0.025","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009691","15.8","0.002","14.345","0.002","21.424","0.001","90","","90","","90","","4855.8","0.9","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H21 N O4 S2 -","- C29 H21 N O4 S2 -","- C232 H168 N8 O32 S16 -","8","1","HA1061","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Sadanandan, E.V.","[2-(3,4-Methylenedioxyphenyl)-1-(phenylsulfonyl)vinyl]-3-(phenylthio)indole","Acta Crystallographica Section C","1994","50","5","787","789","10.1107/S0108270193008285","","","1.5418","CuKα","","","0.054","","","0.06","","","","","1.43","1.43","","","","","has coordinates","198522","2020-10-21","18:00:00",""
"2009744","10.805","0.001","10.114","0.001","13.11","0.001","90","","90","","90","","1432.7","0.2","296","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C8 H16 Cl3 In O2 -","- C8 H16 Cl3 In O2 -","- C32 H64 Cl12 In4 O8 -","4","0.5","ST1063","Whittlesey, B. R.; Ittycheriah, I. P.","Trichlorobis(tetrahydrofuran)indium(III)","Acta Crystallographica Section C","1994","50","5","693","695","10.1107/S0108270193010613","","","0.71073","MoKα","","","0.0347","","","0.033","","","","","1.52","1.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009780","13.34","0.002","10.109","0.002","17.589","0.003","90","","90","","90","","2371.9","0.7","294","","","","","","","","","","","5","P b c n","","","","","","- C26 H16 Mn N6 S2 -","- C26 H16 Mn N6 S2 -","- C104 H64 Mn4 N24 S8 -","4","0.5","HH1078","Holleman, Susan R.; Parker, O. Jerry; Breneman, Gary L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)manganese(II), [Mn(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1994","50","6","867","869","10.1107/S0108270193012892","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009869","20.694","0.006","7.415","0.004","17.693","0.007","90","","90","","90","","2715","2","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","N-saccharinheaxnoic acid","3-oxo-1,2-benzisothiazole-2(3H)-hexanoic acid 1,1 dioxide","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C104 H120 N8 O40 S8 -","8","1","HA1083","Feeder, N.; Jones, W.","Four <i>N</i>-saccharinaliphatic acids","Acta Crystallographica Section C","1994","50","7","1118","1122","10.1107/S010827019301323X","","","0.71073","MoKα","","0.0969","0.0423","","0.1036","0.0948","","","","0.888","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009898","35.636","0.007","8.127","0.003","14.597","0.004","90","","90","","90","","4227","2","294","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C15 H18 Cl3 N3 O8 -","- C15 H18 Cl3 N3 O8 -","- C120 H144 Cl24 N24 O64 -","8","1","PA1076","Rodier, N.; Bellaissaoui, A.; Morpain, C.; Laude, B.","3,4-Diméthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~15~H~18~Cl~3~N~3~O~8~","Acta Crystallographica Section C","1994","50","7","1171","1173","10.1107/S0108270193012120","","","0.7107","MoKᾱ","","","0.048","","","0.049","","","","","1.457","1.457","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010139","18.975","0.003","10.327","0.002","8.569","0.003","90","","90","","90","","1679.1","0.7","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","3,6-dibromo-1,4-dihydro-1,4-di(p-methoxyphenyl)-1,2,4,5-tetrazine","","- C16 H14 Br2 N4 O2 -","- C16 H14 Br2 N4 O2 -","- C64 H56 Br8 N16 O8 -","4","0.5","AL1011","Ueng, C.-H.; Wang, Y.; Yeh, M.-Y.","Two heterocyclic 1,2,4,5-tetrazines","Acta Crystallographica Section C","1994","50","11","1781","1784","10.1107/S0108270194002192","","","0.7107","MoKα","","","0.037","","","0.028","","","","","2.28","2.28","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010455","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Al2.7 Fe Si2.3 -","- Al3 Fe Si2 -","- Al12 Fe4 Si8 -","4","0.5","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.034","","","0.037","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010579","16.935","0.003","9.0806","0.0007","14.987","0.003","90","","90","","90","","2304.7","0.6","190","2","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 N7 Nd O9 -","- C20 H16 N7 Nd O9 -","- C80 H64 N28 Nd4 O36 -","4","0.5","QB0157","Bower, John F.; Cotton, Simon A.; Fawcett, John; Russell, David R.","Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')tris(nitrato-<i>O</i>,<i>O</i>')neodymium","Acta Crystallographica Section C","2000","56","1","e8","e9","10.1107/S0108270199016157","","","0.71073","MoKα","","0.068","0.047","","","","0.129","","","","","","2.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010611","19.657","0.012","17.066","0.003","17.67","0.005","90","","90","","90","","5928","4","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(tetra-n-butylammonium) Bis[μ-2-hydroxy-2-phenyl- ethanoato(2-)]-bis[oxomonoperoxovanadate(V)]","","- C56 H92 N2 O15 V2 -","- C56 H92 N2 O15 V2 -","- C224 H368 N8 O60 V8 -","4","0.5","CF1306","Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter","Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate","Acta Crystallographica Section C","2000","56","2","154","155","10.1107/S0108270199013475","","","0.71073","MoKα","","0.098","0.052","","","","0.168","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010731","15.922","0.002","16.7908","0.0016","16.453","0.004","90","","90","","90","","4398.6","1.3","288","2","288","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H62 N2 O12 -","- C44 H62 N2 O12 -","- C176 H248 N8 O48 -","4","0.5","NA1433","Kim, Jong Seung; Jensen, William P.; Lee, Chang-Hee; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate","Acta Crystallographica Section C","2000","56","3","379","381","10.1107/S0108270199016327","","","0.71069","MoKα","","0.1239","0.0665","","","","0.205","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010732","11.839","0.002","9.108","0.002","21.319","0.004","90","","90","","90","","2298.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","poly[bis[copper(I)-μ-(4,4'-bipyridyl)-N:N']-μ-dimolybdato-O:O']","","- C20 H16 Cu2 Mo2 N4 O7 -","- C20 H16 Cu2 Mo2 N4 O7 -","- C80 H64 Cu8 Mo8 N16 O28 -","4","0.5","NA1440","You, Wan-Sheng; Wang, En-Bo; Xu, Lin; Hu, Chang-Wen; Luan, Guo-You","Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units","Acta Crystallographica Section C","2000","56","3","289","290","10.1107/S0108270199015036","","","0.71073","MoKα","","0.041","0.028","","0.069","0.066","","","","0.899","0.994","0.994","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011027","26.919","0.004","7.572","0.003","11.966","0.003","90","","90","","90","","2439","1.2","298","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-cyclohexane-1,2-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C96 H112 N16 O32 -","4","0.5","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.074","","","","0.19","","","","","","1.77","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011177","14.067","0.001","10.1759","0.0007","15.755","0.001","90","","90","","90","","2255.2","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","catena-poly[[bis(2,2'-bipyridyl-1κ^2^N,N')-μ-cyano-1:2κ^2^N:C-dicyano- 2κ^2^C-dinickel(II)]-μ-cyano-C:N]","","- C24 H16 N8 Ni2 -","- C24 H16 N8 Ni2 -","- C96 H64 N32 Ni8 -","4","0.5","SK1357","Juraj Černák; Abboud, Khalil A.","Ni(bipy)~2~Ni(CN)~4~, a new type of one-dimensional square tetracyano complex","Acta Crystallographica Section C","2000","56","7","783","785","10.1107/S0108270100004996","","","0.71073","MoKα","","0.09","0.046","","","","0.142","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011678","11.7493","0.0001","19.0809","0.0003","14.6006","0.0002","90","","90","","90","","3273.27","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cd N2 O4 P2 S4 -","- C24 H36 Cd N2 O4 P2 S4 -","- C96 H144 Cd4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.071","0.054","","","","0.168","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011679","11.5761","0.0002","18.8015","0.0001","14.7098","0.0002","90","","90","","90","","3201.56","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]","","- C24 H36 Fe N2 O4 P2 S4 -","- C24 H36 Fe N2 O4 P2 S4 -","- C96 H144 Fe4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.093","0.074","","","","0.127","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011695","15.33","0.003","9.889","0.002","16.061","0.003","90","","90","","90","","2434.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'","","- C20 H16 Mn N4 O6 S4 -","- C20 H16 Mn N4 O6 S4 -","- C80 H64 Mn4 N16 O24 S16 -","4","0.5","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.145","0.052","","","","0.183","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011730","33.622","0.007","10.562","0.002","7.067","0.001","90","","90","","90","","2509.6","0.8","293","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C88 H96 N48 O32 -","8","1","NA1491","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium phthalate","Acta Crystallographica Section C","2001","57","1","123","125","10.1107/S0108270100016607","","","0.71073","MoKα","","0.1267","0.0456","","","","0.1257","","","","","","1.005","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2011806","21.484","0.003","9.4624","0.0008","7.3293","0.0007","90","","90","","90","","1490","0.3","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Sodium hydrogenbis(phenoxyacetate)","","- C16 H15 Na O6 -","- C16 H15 Na O6 -","- C64 H60 Na4 O24 -","4","0.5","GD1129","Evans, James; Kapitan, Anoop; Rosair, Georgina; Roberts, Kevin J; White, Graeme","Sodium hydrogen bis(phenoxyacetate)","Acta Crystallographica Section C","2001","57","3","250","251","10.1107/S0108270100018175","","","0.71073","MoKα","","0.058","0.0389","","","","0.1088","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011869","19.4661","0.0007","10.7312","0.0004","8.3","0.0003","90","","90","","90","","1733.83","0.11","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine","","- C20 H22 N2 S -","- C20 H22 N2 S -","- C80 H88 N8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0386","0.0335","","","","0.1219","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011870","18.9551","0.0011","11.4905","0.0007","8.1745","0.0004","90","","90","","90","","1780.44","0.17","123","1","123","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Compound 2","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine‒1,1 ‒dioxide","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0438","0.0337","","","","0.0928","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011872","9.494","0.002","15.936","0.003","7.137","0.0014","90","","90","","90","","1079.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II)","","- C6 H6 Cl2 Cu N4 S2 -","- C6 H6 Cl2 Cu N4 S2 -","- C24 H24 Cl8 Cu4 N16 S8 -","4","0.5","FR1305","Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II)","Acta Crystallographica Section C","2001","57","4","354","355","10.1107/S0108270100020163","","","0.71073","MoKα","","0.027","0.023","","0.063","","0.061","","","1.13","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011898","8.5981","0.0003","5.1355","0.0002","18.2159","0.0007","90","","90","","90","","804.33","0.05","253","2","253","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3'-Selenobis(propionic acid)","","- C6 H10 O4 Se -","- C6 H10 O4 Se -","- C24 H40 O16 Se4 -","4","0.5","OS1132","Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.","3,3'-Selenobis(propionic acid)","Acta Crystallographica Section C","2001","57","4","439","440","10.1107/S0108270100021077","","","0.71073","MoKα","","0.0335","0.0232","","","","0.0612","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012045","13.51","0.003","18.014","0.007","16.795","0.005","90","","90","","90","","4087","2","173","1","173","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","","- C26 H16 S4 -","- C26 H16 S4 -","- C208 H128 S32 -","8","1","NA1515","Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","Acta Crystallographica Section C","2001","57","6","764","766","10.1107/S0108270101005248","","","0.71069","MoKα","","0.0931","0.0422","","","","0.1162","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012051","7.5388","0.0002","9.1091","0.0001","24.8514","0.0006","90","","90","","90","","1706.59","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu N2 O3 -","- C20 H18 Cu N2 O3 -","- C80 H72 Cu4 N8 O12 -","4","0.5","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.1154","0.0884","","","","0.2393","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012103","26.625","0.005","7.863","0.002","10.23","0.002","90","","90","","90","","2141.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","melaminium di-p-phenolsulfonate dihydrate","2,4,6-triamino-1,3,5-triazine-1,3-diium bis(4-hydroxybenzenesulfonate) dihydrate","","- C15 H22 N6 O10 S2 -","- C15 H22 N6 O10 S2 -","- C60 H88 N24 O40 S8 -","4","0.5","NA1522","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium bis(4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2001","57","7","873","875","10.1107/S0108270101007600","","","0.71073","MoKα","","0.068","0.036","","","","0.098","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012116","13.018","0.003","10.116","0.002","17.536","0.004","90","","90","","90","","2309.3","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(Isothiocyanato-(1,10-Phenanthroline))-nickel(ii)","","- C26 H16 N6 Ni S2 -","- C26 H16 N6 Ni S2 -","- C104 H64 N24 Ni4 S8 -","4","0.5","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.094","0.029","","","","0.091","","","","","","0.968","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012340","25.675","0.009","11.602","0.003","10.53","0.004","90","","90","","90","","3136.7","1.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetrachloro bisphenol A","3,5,3',5'-Tetrachloro-4,4'-dihydroxy-diphenyl-dimethl-methane","","- C15 H12 Cl4 O2 -","- C15 H12 Cl4 O2 -","- C120 H96 Cl32 O16 -","8","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.177","0.054","","","","0.075","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012450","10.3705","0.0018","14.903","0.002","20.375","0.004","90","","90","","90","","3149","0.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","μ~4~-oxo-hexa-μ-chloro-tetrakis[(2-methyl-2-thiazoline)copper(II)]","","- C16 H28 Cl6 Cu4 N4 O S4 -","- C16 H28 Cl6 Cu4 N4 O S4 -","- C64 H112 Cl24 Cu16 N16 O4 S16 -","4","0.5","SK1502","Bolos, C. A.; Christidis, P. C.","Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)]","Acta Crystallographica Section C","2002","58","1","m29","m30","10.1107/S0108270101016870","","","0.7107","MoKα","","0.1708","0.0635","","","0.1033","0.127","","","","","","0.901","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012718","14.052","0.006","10.192","0.005","14.047","0.006","90","","90","","90","","2011.8","1.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II)","","- C20 H18 Cl2 N2 O2 Zn -","- C20 H18 Cl2 N2 O2 Zn -","- C80 H72 Cl8 N8 O8 Zn4 -","4","0.5","SK1538","Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik","Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) from powder data","Acta Crystallographica Section C","2002","58","5","m300","m301","10.1107/S0108270102005292","","","1.54056","CuKα~1~","","","","","","","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012790","19.523","0.004","9.2726","0.0019","9.939","0.002","90","","90","","90","","1799.2","0.6","293","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H15 Be F4 N2 O0.5 -","- C6 H15 Be F4 N2 O0.5 -","- C48 H120 Be8 F32 N16 O4 -","8","1","BM1497","Gerrard, Lee A.; Weller, Mark T.","Dabconium orthofluoroberyllate hemihydrate","Acta Crystallographica Section C","2002","58","7","m407","m408","10.1107/S0108270102009654","","","0.71073","MoKα","","0.0479","0.0432","","","0.113","0.117","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012848","11.484","0.003","18.385","0.006","9.509","0.003","90","","90","","90","","2007.7","1.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,5-bis[(N-B)-(2-aminoethoxy)phenylboryl]thiophene","","- C20 H24 B2 N2 O2 S -","- C20 H24 B2 N2 O2 S -","- C80 H96 B8 N8 O8 S4 -","4","0.5","BM1498","Cox, Philip J.; Wardell, James L.","Coordinative N→B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(<i>N</i>\ρightarrow <i>B</i>)-(2-aminoethoxy)phenylboryl]thiophene","Acta Crystallographica Section C","2002","58","8","o515","o517","10.1107/S0108270102010594","","","0.71073","MoKα","","0.112","0.04","","","0.065","0.075","","","","","","0.629","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013276","19.91","0.003","7.8559","0.0008","19.263","0.002","90","","90","","90","","3012.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]","","- C24 H20 Cd2 N8 O14 -","- C24 H20 Cd2 N8 O14 -","- C96 H80 Cd8 N32 O56 -","4","0.5","FR1421","Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^<i>N</i>:<i>N</i>']bis[aquadinitratocadmium(II)]","Acta Crystallographica Section C","2003","59","6","m234","m236","10.1107/S0108270103008904","","","0.71073","MoKα","","0.0224","0.0191","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013571","6.7333","0.0009","12.6195","0.0016","19.827","0.003","90","","90","","90","","1684.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-Bi(2-methylphenylimino)-1,4-dithiacyclohexane","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","0.5","FA1032","Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen","2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane","Acta Crystallographica Section C","2003","59","11","o611","o612","10.1107/S0108270103021000","","","0.71073","MoKα","","0.0839","0.058","","","0.1367","0.1465","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013660","4.735","0.001","12.516","0.002","26.48","0.003","90","","90","","90","","1569.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0562","0.0498","","","0.1615","0.1642","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013720","6.9776","0.0014","11.779","0.002","15.997","0.003","90","","90","","90","","1314.8","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H12 B2 F2 Ge3 N2 O9 -","- C4 H12 B2 F2 Ge3 N2 O9 -","- C16 H48 B8 F8 Ge12 N8 O36 -","4","0.5","TR1066","Li, Yang-feng; Zou, Xiaodong","(C~4~N~2~H~12~)[(GeO~2~)~3~(BO~1.5~F)~2~], a layered borogermanate containing three- and nine-membered rings","Acta Crystallographica Section C","2003","59","11","m471","m472","10.1107/S0108270103021747","","","0.71073","MoKα","","0.0254","0.0192","","","0.0442","0.0455","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014051","16.6918","0.0004","9.6863","0.0003","17.5921","0.0005","90","","90","","90","","2844.32","0.14","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","(P,M)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[c,e]oxepine","","- C40 H32 O -","- C40 H32 O -","- C160 H128 O4 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0634","0.0454","","","0.1149","0.1285","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014107","21.6096","0.0008","7.216","0.0002","17.6529","0.0006","90","","90","","90","","2752.7","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Cu2 N4 O8 -","- C28 H28 Cu2 N4 O8 -","- C112 H112 Cu8 N16 O32 -","4","0.5","BM1570","Yi-Hang Wen; Ye-Yan Qin; Jian Zhang; Zhao-Ji Li; Jian-Kai Cheng; Yao Kang; Yuan-Gen Yao","<i>catena</i>-Poly[[[aquacopper(I)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] hemi(isophthalate) monohydrate]","Acta Crystallographica Section C","2004","60","8","m371","m372","10.1107/S0108270104014106","","","0.71073","MoKα","","0.0976","0.0586","","","0.139","0.164","","","","","","1.11","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2014270","16.9011","0.001","12.9824","0.0008","18.3248","0.0011","90","","90","","90","","4020.8","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C112 H184 Cl16 Fe8 N48 O16 P8 -","4","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.08","0.04","","0.049","","0.042","","","0.891","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014407","14.449","0.004","5.5526","0.0014","12.66","0.003","90","","90","","90","","1015.7","0.5","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyltindithiocyanatotin(IV)","","- C6 H10 N2 S2 Sn -","- C6 H10 N2 S2 Sn -","- C24 H40 N8 S8 Sn4 -","4","0.5","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0147","0.0137","","","0.0323","0.0327","","","","","","1.16","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014465","10.328","0.0012","13.2177","0.0014","13.1813","0.0016","90","","90","","90","","1799.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[diaquacadmium(II)]-μ-5-carboxy-1H-imidazole-4-carboxylato- κ^4^N^3^,O^4^:O^5^,N^1^]","","- C5 H6 Cd N2 O6 -","- C5 H6 Cd N2 O6 -","- C40 H48 Cd8 N16 O48 -","8","1","FG1767","Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","11","m590","m591","10.1107/S0108270104024692","","","0.7107","MoKα","","0.0839","0.0511","","","0.1049","0.1201","","","","","","1.184","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014543","9.6497","0.0007","12.1378","0.0005","16.5063","0.0011","90","","90","","90","","1933.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(3-Methylpteridin-4-one-2-yl)glycine","","- C9 H9 N5 O3 -","- C9 H9 N5 O3 -","- C72 H72 N40 O24 -","8","1","SK1769","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings","Acta Crystallographica Section C","2004","60","11","o795","o797","10.1107/S010827010402222X","","","0.71073","MoKα","","0.1075","0.0697","","","0.0969","0.106","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014859","9.6622","0.0002","14.9139","0.0004","13.985","0.0004","90","","90","","90","","2015.25","0.09","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","mer-Triiodotripyridineindium(III)","","- C15 H15 I3 In N3 -","- C15 H15 I3 In N3 -","- C60 H60 I12 In4 N12 -","4","0.5","JZ1705","Pardoe, Jennifer A. J.; Cowley, Andrew R.; Downs, Anthony J.; Greene, Timothy M.","<i>mer</i>-Triiodotripyridineindium(III)","Acta Crystallographica Section C","2005","61","4","m200","m202","10.1107/S0108270105006360","","","0.71073","MoKα","","0.0409","0.0248","","0.0427","0.0285","0.0285","","","","","","1.0149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014867","23.5785","0.0005","12.1715","0.0003","7.6545","0.0002","90","","90","","90","","2196.73","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-salicylato-κ^2^O:O')(1,10-phenanthroline-κ^2^N,N')manganese(II)]","","- C26 H18 Mn N2 O6 -","- C26 H18 Mn N2 O6 -","- C104 H72 Mn4 N8 O24 -","4","0.5","OB1227","Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","6","m256","m258","10.1107/S0108270105011078","","","0.71069","MoKα","","0.053","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014981","17.998","0.005","7.112","0.003","20.39","0.006","90","","90","","90","","2610","1.5","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-acetamido-N-benzyl-2-(methoxyamino)acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C96 H136 N24 O24 -","8","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.0886","0.0624","","","0.1378","0.1464","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015607","7.6194","0.0003","14.6296","0.0006","8.1057","0.0002","90","","90","","90","","903.53","0.06","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 2","2,6-diiodo-3,5-dimethylpyridine","","- C7 H7 I2 N -","- C7 H7 I2 N -","- C28 H28 I8 N4 -","4","0.5","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0256","0.0212","","","0.0452","0.0469","","","","","","1.121","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015637","5.2436","0.0002","11.6079","0.0005","28.9238","0.0011","90","","90","","90","","1760.51","0.12","295","2","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ca7.96 Cu0.04 Ge5 O18 -","- Ca7.959 Cu0.041 Ge5 O18 -","- Ca31.836 Cu0.164 Ge20 O72 -","4","0.5","FA3041","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units","Acta Crystallographica Section C","2006","62","11","i94","i96","10.1107/S010827010604176X","","","0.71073","MoKα","","","0.0222","","","","0.0587","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015676","11.645","0.0002","15.149","0.0002","15.194","0.0002","90","","90","","90","","2680.38","0.07","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato- κ^2^O,O')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","","- C26 H34 Cd N2 O10 -","- C26 H34 Cd N2 O10 -","- C104 H136 Cd4 N8 O40 -","4","0.5","BG3020","E Yang; Rong-Qiang Zhuang; Jian-Xin Chen","<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","Acta Crystallographica Section C","2006","62","12","m612","m613","10.1107/S0108270106046038","","","0.71073","MoKα","","","0.0221","","","0.0663","0.0667","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015747","11.0921","0.0003","19.3442","0.0003","20.1742","0.0004","90","","90","","90","","4328.73","0.16","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","hexakis(4-cyanophenyl)benzene","4,4',4'',4''',4'''',4'''''-benzenehexaylhexabenzonitrile dichloromethane disolvate","","- C50 H28 Cl4 N6 -","- C50 H28 Cl4 N6 -","- C200 H112 Cl16 N24 -","4","0.5","GZ3032","Gagnon, Eric; Maly, Kenneth E.; Maris, Thierry; Wuest, James D.","A new pseudopolymorph of hexakis(4-cyanophenyl)benzene","Acta Crystallographica Section C","2007","63","1","o4","o6","10.1107/S0108270106046452","","","1.54178","CuKα","","0.0582","0.0577","","","0.1379","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015826","13.0541","0.0011","6.9672","0.0006","34.604","0.003","90","","90","","90","","3147.3","0.5","183","2","183","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E,Z,E)-1-(4-methoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0597","0.0427","","","0.121","0.1359","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015897","12.2197","0.001","11.0048","0.0011","17.2631","0.0014","90","","90","","90","","2321.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')cobalt(II)","","- C29 H16 Co N4 O5 -","- C29 H16 Co N4 O5 -","- C116 H64 Co4 N16 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0827","0.0408","","","0.0787","0.0914","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015898","12.2618","0.0016","10.929","0.002","17.171","0.003","90","","90","","90","","2301.1","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C29 H16 N4 Ni O5 -","- C29 H16 N4 Ni O5 -","- C116 H64 N16 Ni4 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0838","0.0429","","","0.0928","0.1162","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015912","7.01","0.0005","33.052","0.002","24.2496","0.0017","90","","90","","90","","5618.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(adeninium) phthalate phthalic acid 1.45-hydrate","","- C26 H24.91 N10 O9.45 -","- C26 H24.908 N10 O9.454 -","- C208 H199.264 N80 O75.632 -","8","1","LN3036","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate","Acta Crystallographica Section C","2007","63","4","o212","o214","10.1107/S0108270107006300","","","0.71073","MoKα","","0.0437","0.0399","","","0.1015","0.1044","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016155","10.36","0.003","12.191","0.0017","15.332","0.005","90","","90","","90","","1936.4","0.9","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4',6,6'-tetrachloro-2,2'-(piperazin-1,4-diyldimethylene)diphenol","","- C18 H18 Cl4 N2 O2 -","- C18 H18 Cl4 N2 O2 -","- C72 H72 Cl16 N8 O8 -","4","0.5","GG3104","Kubono, Koji; Yokoi, Kunihiko","Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section C","2007","63","9","o535","o537","10.1107/S0108270107035408","","","0.71069","MoKα","","","0.0366","","","","0.106","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016208","7.9585","0.0001","16.8134","0.0004","21.622","0.0005","90","","90","","90","","2893.23","0.1","120","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[bis(nitrato-κ^2^O,O')copper(II)]-μ-propane-1,3- diylbis(diphenylphosphine oxide)-κ<i>O</i>:<i>O'</i>]","","- C27 H26 Cu N2 O8 P2 -","- C27 H26 Cu N2 O8 P2 -","- C108 H104 Cu4 N8 O32 P8 -","4","0.5","HJ3050","Platt, Andrew W. G.; Lees, Anthony M. J.","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-propane-1,3-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2007","63","10","m433","m435","10.1107/S0108270107038711","","","0.71073","MoKα","","","0.0383","","","","0.082","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016251","6.8227","0.0002","13.4226","0.0004","17.5317","0.0005","90","","90","","90","","1605.52","0.08","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","","- C8 H22 Cl2 N2 Si3 -","- C8 H22 Cl2 N2 Si3 -","- C32 H88 Cl8 N8 Si12 -","4","0.5","GA3074","Böhme, Uwe; Bendrath, Franziska; Günther, Betty","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","Acta Crystallographica Section C","2007","63","11","o631","o632","10.1107/S0108270107045969","","","0.71073","MoKα","","0.0314","0.0253","","","0.0644","0.0683","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016300","23.411","0.004","10.409","0.002","13.722","0.003","90","","90","","90","","3343.8","1.1","295","3","295","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-\ κ^2^<i>N</i>,<i>N</i>')strontium(II)","","- C38 H30 N4 O8 Sr -","- C38 H30 N4 O8 Sr -","- C152 H120 N16 O32 Sr4 -","4","0.5","BG3058","Duan-Jun Xu; Bing-Yu Zhang; Jian-Rong Su; Jing-Jing Nie","Intramolecular π‒π stacking in diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II)","Acta Crystallographica Section C","2007","63","12","m622","m624","10.1107/S0108270107050597","","","0.71069","MoKα","","0.078","0.054","","","0.104","0.113","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016494","15.5576","0.0011","10.1598","0.0007","12.5487","0.0009","90","","90","","90","","1983.5","0.2","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')zinc(II)","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","0.5","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.0351","0.0302","","","0.0762","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016750","24.259","0.004","11.469","0.002","7.1937","0.0012","90","","90","","90","","2001.5","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1-naphthylammonium iodide","","- C10 H10 I N -","- C10 H10 I N -","- C80 H80 I8 N8 -","8","1","DN3092","Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.","Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide","Acta Crystallographica Section C","2008","64","9","o481","o484","10.1107/S0108270108023561","","","0.71073","MoKα","","","0.0548","","","","0.1388","","","","","","1.326","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016830","14.539","0.003","17.472","0.004","22.623","0.004","90","","90","","90","","5747","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')silver(I)] hydrogen 3-phosphonatobenzenesulfonate trihydrate]","","- C26 H27 Ag2 N4 O9 P S -","- C26 H27 Ag2 N4 O9 P S -","- C208 H216 Ag16 N32 O72 P8 S8 -","8","1","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","","0.0393","0.0359","","","0.0766","0.0783","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017126","6.9425","0.0014","12.366","0.003","29.22","0.006","90","","90","","90","","2508.6","0.9","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic acid hexahydrate","","- C19 H22 F6 O14 -","- C19 H22 F6 O14 -","- C76 H88 F24 O56 -","4","0.5","EG3011","Zhou, Yan; Zhao, Wen-Na; Han, Lei","A novel (3,4,10)-connected three-dimensional hydrogen-bonded supramolecular network containing a cyclic water hexamer","Acta Crystallographica Section C","2009","65","6","o287","o289","10.1107/S0108270109010658","","","0.71073","MoKα","","0.0788","0.0514","","","0.0989","0.1089","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017230","12.498","0.003","20.899","0.004","10.43","0.002","90","","90","","90","","2724.3","1","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine- 3-carboxamide-κ<i>N</i>^1^)copper(II)","","- C10 H14 Cu N2 O8 -","- C10 H14 Cu N2 O8 -","- C80 H112 Cu8 N16 O64 -","8","1","FG3105","Perec, Mireille; Baggio, Ricardo","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2009","65","8","m296","m298","10.1107/S0108270109025293","","","0.71073","MoKα","","0.0493","0.0407","","","0.1103","0.1185","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017364","17.719","0.006","8.159","0.003","7.326","0.002","90","","90","","90","","1059.1","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~- thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)]","","- C6 H54 Ag2 N5 S2 -","- C6 H5 Ag2 N5 S2 -","- C24 H20 Ag8 N20 S8 -","4","0.5","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0435","0.0416","","","0.1033","0.1044","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017394","9.3507","0.0007","14.6003","0.0011","14.3335","0.0011","90","","90","","90","","1956.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Yb(THF)~3~I~3~","triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","","- C12 H24 I3 O3 Yb -","- C12 H24 I3 O3 Yb -","- C48 H96 I12 O12 Yb4 -","4","0.5","GG3217","Emge, Thomas J.; Kornienko, A.; Brennan, John G.","<i>Trans</i> influence in a <i>mer</i>-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","Acta Crystallographica Section C","2009","65","11","m422","m425","10.1107/S0108270109038268","","","0.71073","MoKα","","0.0465","0.029","","","0.0622","0.0663","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017474","10.8346","0.0014","7.4952","0.0009","24.621","0.003","90","","90","","90","","1999.4","0.4","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate","","- C11 H12 N3 O1.5 -","- C11 H12 N3 O1.5 -","- C88 H96 N24 O12 -","8","1","GG3225","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of <i>R</i>~10~^8^(34) rings","Acta Crystallographica Section C","2010","66","1","o47","o49","10.1107/S0108270109053906","","","0.71073","MoKα","","0.0934","0.0551","","","0.112","0.1263","","","","","","1.158","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017512","11.9297","0.0005","10.8294","0.0006","16.6986","0.0009","90","","90","","90","","2157.32","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(3<i>Z</i>)-3-(2-thienylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0706","0.0539","","","0.113","0.1245","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017513","19.225","0.0007","5.0503","0.0003","22.1886","0.0014","90","","90","","90","","2154.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(3<i>E</i>)-3-(2-furylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one monohydrate","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0854","0.0518","","","0.1057","0.1175","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017705","17.4052","0.0007","16.4768","0.0007","16.7408","0.0007","90","","90","","90","","4801","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Magic Blue","tris(4-bromophenyl)aminium hexachloridoantimonate","","- C18 H12 Br3 Cl6 N Sb -","- C18 H12 Br3 Cl6 N Sb -","- C144 H96 Br24 Cl48 N8 Sb8 -","8","1","FN3059","Quiroz-Guzman, Mauricio; Brown, Seth N.","Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization","Acta Crystallographica Section C","2010","66","7","m171","m173","10.1107/S0108270110019748","","","0.71073","MoKα","","0.072","0.0346","","","0.0632","0.0746","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017718","8.329","0.0004","13.2559","0.0007","55.974","0.003","90","","90","","90","","6180","0.6","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dodecapotassium hexaniobium pentatriacontaselenide","","- K12 Nb6 Se35.3 -","- K12 Nb6 Se35.3 -","- K48 Nb24 Se141.2 -","4","0.5","KU3024","Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.","Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block","Acta Crystallographica Section C","2010","66","7","i75","i78","10.1107/S0108270110017038","","","0.71073","MoKα","","0.0392","0.0314","","","0.0607","0.063","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017748","25.209","0.002","17.6946","0.0015","15.5541","0.0013","90","","90","","90","","6938.1","1","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di- μ~3~-oxido-dimanganese(III)disodium","","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C256 H448 Mn8 N16 Na8 O16 Si16 -","4","0.5","GA3151","Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium","Acta Crystallographica Section C","2010","66","8","m204","m206","10.1107/S010827011002442X","","","0.71073","MoKα","","0.0781","0.0672","","","0.149","0.155","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017756","26.9702","0.0012","11.4912","0.0007","24.9646","0.0018","90","","90","","90","","7737","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Bis(adamantan-1-aminium) tetrachloridozincate(II)‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)","","- C32 H62 Cl4 N2 O7 Zn -","- C32 H62 Cl4 N2 O7 Zn -","- C256 H496 Cl32 N16 O56 Zn8 -","8","1","GZ3178","Zhao, Min Min; Qu, Zhi Rong","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Acta Crystallographica Section C","2010","66","8","m215","m217","10.1107/S0108270110025795","","","0.71073","MoKα","","0.0771","0.0578","","","0.1257","0.1342","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017894","12.4911","0.0006","8.51","0.0004","13.2883","0.0007","90","","90","","90","","1412.54","0.12","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxy-2,2'-biphenyldiol","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","0.5","GG3249","Langer, Vratislav; Lundquist, Knut","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons","Acta Crystallographica Section C","2010","66","12","o606","o608","10.1107/S0108270110046913","","","0.71073","MoKα","","0.0492","0.038","","","0.1083","0.116","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018027","14.2694","0.0008","16.5639","0.0008","7.2237","0.0004","90","","90","","90","","1707.37","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","","- C18 H20 O10 -","- C18 H20 O10 -","- C72 H80 O40 -","4","0.5","EG3069","Thébault, Frédéric; Öhrström, Lars; Haukka, Matti","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks","Acta Crystallographica Section C","2011","67","4","o143","o145","10.1107/S0108270111002988","","","0.71073","MoKα","","0.1028","0.0495","","","0.1075","0.1298","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018233","13.6599","0.0009","8.5928","0.0006","14.8979","0.0011","90","","90","","90","","1748.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C56 H72 Cl8 N8 S8 -","4","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0333","0.0302","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018264","16.9402","0.0004","14.1463","0.0003","11.6407","0.0002","90","","90","","90","","2789.59","0.1","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","cyclohexylaminium hydrogen phthalate hemihydrate","cyclohexylaminium 2-carboxybenzoate hemihydrate","","- C14 H20 N O4.5 -","- C14 H20 N O4.5 -","- C112 H160 N8 O36 -","8","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0841","0.0478","","","0.1248","0.1474","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018339","7.2557","0.0003","8.4285","0.0004","11.0412","0.0006","90","","90","","90","","675.22","0.06","200","","200","","","","","","","","","4","P b c n","-P 2n 2ab","60","Magnesium chloride tetrahydrate","Magnesium chloride tetrahydrate","","- Cl2 H8 Mg O4 -","- Cl2 H8 Mg O4 -","- Cl8 H32 Mg4 O16 -","4","0.5","BI3028","Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang","Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O","Acta Crystallographica Section C","2012","68","1","i4","i6","10.1107/S0108270111054709","","","0.71073","MoKα","","0.0197","0.0158","","","0.0501","0.0508","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018361","20.868","0.003","9.603","0.004","16.924","0.009","90","","90","","90","","3391","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","6-Chloro-4-(4-chlorophenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl2 N3 O -","- C20 H13 Cl2 N3 O -","- C160 H104 Cl16 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.1057","0.0526","","","0.1187","0.1468","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018488","17.195","0.006","12.411","0.005","17.569","0.006","90","","90","","90","","3749","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","","- C14 H14 Cl2 Mn N2 O10 -","- C14 H14 Cl2 Mn N2 O10 -","- C112 H112 Cl16 Mn8 N16 O80 -","8","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0962","0.0455","","","0.1033","0.1214","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018569","20.464","0.003","11.9699","0.0015","8.2812","0.001","90","","90","","90","","2028.5","0.5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-poly[[diaquabarium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ba O6 -","- C22 H18 Ba O6 -","- C88 H72 Ba4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.8252","synchrotron","","0.0429","0.0414","","","0.1243","0.1259","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018855","5.667","","14.202","","5.232","","90","","90","","90","","421.086","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ag Te O2 N O3","","- Ag N O5 Te -","- Ag N O5 Te -","- Ag4 N4 O20 Te4 -","4","0.5","","Kazikowski, S.; Olsson, C.; Johansson, L.G.","Structure of silver telluryl nitrate Ag Te O2 N O3.","Acta Crystallographica C (39,1983-)","1988","44","","427","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018964","20.412","0.0004","7.173","0.0002","17.8858","0.0004","90","","90","","90","","2618.75","0.11","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-<i>a</i>]pyrimidine)nickel(II) hemihydrate","","- C12 H17 N6 Ni O0.5 -","- C12 H17 N6 Ni O0.5 -","- C96 H136 N48 Ni8 O4 -","8","1","KU3094","Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions","Acta Crystallographica Section C","2013","69","6","565","568","10.1107/S0108270113010585","","","0.71073","MoKα","","0.0632","0.0434","","","0.099","0.107","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018979","16.282","0.003","17.74","0.003","11.608","0.002","90","","90","","90","","3352.9","1","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>rac</i>-Bis{μ-<i>trans</i>-2,2'-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II)","","- C38 H40 N4 O4 Pd2 -","- C38 H40 N4 O4 Pd2 -","- C152 H160 N16 O16 Pd8 -","4","0.5","OV3021","Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi","A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers","Acta Crystallographica Section C","2013","69","5","503","505","10.1107/S0108270113004484","","","0.71075","MoKα","","","0.0214","","","","0.0555","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019279","7.9006","0.0019","16.302","0.004","16.998","0.005","90","","90","","90","","2189.3","1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","10-Ethynyl-10<i>H</i>-phenothiazine 5-oxide","","- C14 H9 N O S -","- C14 H9 N O S -","- C112 H72 N8 O8 S8 -","8","1","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0537","","","","0.1474","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019437","3.897","0.001","16.881","0.009","10.91","0.004","90","","90","","90","","717.7","0.5","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","6,7-dicyano-1,3,5,2,4-trithiadiazepine","1,3,5,2,4-Trithiadiazepine-6,7-dicarbonitrile","","- C4 N4 S3 -","- C4 N4 S3 -","- C16 N16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0678","0.0424","","","0.088","0.0937","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019622","13.798","0.0009","20.8958","0.0016","19.2954","0.0015","90","","90","","90","","5563.3","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","","- C30.5 H25 Cl3 Co N4 -","- C30.5 H25 Cl3 Co N4 -","- C244 H200 Cl24 Co8 N32 -","8","1","YP3074","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015411","","","0.71073","MoKα","","0.0292","0.0244","","","0.0586","0.0609","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019629","18.0371","0.0004","15.4309","0.0003","14.2604","0.0003","90","","90","","90","","3969.08","0.14","100","2","100.02","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0663","0.0424","","","0.0913","0.101","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019630","17.0813","0.0005","15.4877","0.0005","14.2544","0.0005","90","","90","","90","","3771","0.2","100","2","100.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0406","0.0318","","","0.0797","0.084","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019721","10.2772","0.00019","19.336","0.0004","15.9587","0.0003","90","","90","","90","","3171.31","0.11","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene","","- C40 H32 O6 -","- C40 H32 O6 -","- C160 H128 O24 -","4","0.5","KY3065","Yoshiwaka, Sayaka; Sasagawa, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Comparative structural analysis of 2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene and its homologues: orientation of the 4-phenoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022967","","","1.54187","CuKα","","0.0396","0.0377","","","0.1036","0.1052","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019727","6.7644","0.0002","18.5124","0.0005","15.3595","0.0006","90","","90","","90","","1923.4","0.11","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II)","(Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II)","","- C19 H15 N5 O6 Zn -","- C19 H15 N5 O6 Zn -","- C76 H60 N20 O24 Zn4 -","4","0.5","DT3027","Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia","Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023109","","","0.71073","MoKα","","0.0432","0.032","","","0.0783","0.0834","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019744","19.392","0.004","7.5431","0.0015","22.754","0.005","90","","90","","90","","3328.4","1.2","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-\ 4-yl]diazenyl}phenyl)ethanone","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.0698","0.0409","","","0.0971","0.1051","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019824","28.0866","0.001","9.0052","0.0003","7.4023","0.0002","90","","90","","90","","1872.23","0.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Amino-5-nitropyridinium sulfamate","","- C5 H8 N4 O5 S -","- C5 H8 N4 O5 S -","- C40 H64 N32 O40 S8 -","8","1","SU5048","Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand","Crystal structure of 2-amino-5-nitropyridinium sulfamate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","231","","10.1107/S2056989015000365","","","0.71073","MoKα","","0.0582","0.0552","","","0.1089","0.1108","","","","","","1.284","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019949","28.4","0.006","9.038","0.0018","14.39","0.003","90","","90","","90","","3693.6","1.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)rhenium(I) methanol monosolvate","","- C17 H18 N3 O5 Re -","- C17 H18 N3 O5 Re -","- C136 H144 N24 O40 Re8 -","8","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0409","0.0275","","","","0.068","","","","","","1.023","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2020217","12.165","","8.538","","8.689","","90","","90","","90","","902.481","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 Mg2 (S O4)3","","- Li2 Mg2 O12 S3 -","- Li2 Mg2 O12 S3 -","- Li8 Mg8 O48 S12 -","4","0.5","","Touboul, M.; Quarton, M.; Lokaj, J.; Kettmann, V.","Structure of dilithium dimagnesium trisulfate","Acta Crystallographica C (39,1983-)","1988","44","","1887","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","168070","2020-10-21","18:00:00",""
"2020520","5.605","0.003","13.181","0.004","5.003","0.002","90","","90","","90","","369.6","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Strontium tellurate","","- O4 Sr Te -","- O4 Sr Te -","- O16 Sr4 Te4 -","4","0.5","","Lapasset, J.; Moret, J.","Structure de SrTeO~4~ sur monocristal. Organisation de structures comportant des empilements de chaînes (TeO~4~)~n~. Dimorphisme de Na~2~TeO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","11","1558","1562","10.1107/s0108270185008551","","","","","","","","","","","","","","","","","","","","","has coordinates","200779","2020-10-21","18:00:00",""
"2020568","25.145","0.002","16.9623","0.0019","16.8138","0.0019","90","","90","","90","","7171.4","1.3","300","2","300","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1-Phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C16 H11 N3 -","- C16 H11 N3 -","- C384 H264 N72 -","24","3","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0821","0.0471","","","0.1002","0.1187","","","","","","1.082","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020594","8.0707","0.0014","7.8733","0.0013","7.9305","0.0013","90","","90","","90","","503.93","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Acetic anhydride","Ethanoic anhydride","","- C4 H6 O3 -","- C4 H6 O3 -","- C16 H24 O12 -","4","0.5","YF3110","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Acetic anhydride at 100K: the first crystal structure determination","Acta Crystallographica Section C","2016","72","10","753","757","10.1107/S2053229616015047","","","1.54178","CuKα","","0.0251","0.0248","","","0.0633","0.0635","","","","","","1.093","","","","has coordinates,has Fobs","186847","2020-10-21","18:00:00",""
"2020648","11.498","0.002","11.715","0.002","17.071","0.003","90","","90","","90","","2299.4","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dibromidozinc(II)","","- C20 H18 Br2 N10 Zn -","- C20 H18 Br2 N10 Zn -","- C80 H72 Br8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0519","0.0416","","","0.0781","0.0822","","","","","","1.124","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020649","11.729","0.002","11.853","0.002","17.563","0.004","90","","90","","90","","2441.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}diiodidozinc(II)","","- C20 H18 I2 N10 Zn -","- C20 H18 I2 N10 Zn -","- C80 H72 I8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0362","0.0322","","","0.0618","0.0638","","","","","","1.143","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020680","13.861","0.003","10.521","0.002","18.634","0.004","90","","90","","90","","2717.4","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[bis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole-κ<i>N</i>^3^}zinc(II)]-μ-hexane-1,6-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C24 H26 N12 O5 Zn -","- C24 H26 N12 O5 Zn -","- C96 H104 N48 O20 Zn4 -","4","0.5","","Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole and adipate","Acta Crystallographica Section C","2016","72","12","1002","1006","10.1107/S205322961601874X","","","0.71073","MoKα","","0.0563","0.0524","","","0.1211","0.1234","","","","","","1.267","","","","has coordinates,has Fobs","188788","2020-10-21","18:00:00",""
"2020702","10.259","0.0008","14.5721","0.0014","27.577","0.003","90","","90","","90","","4122.6","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4-[(Diethoxyphosphoryl)(4-nitroanilino)methyl]phenyl}boronic acid","","- C17 H22 B N2 O7 P -","- C17 H22 B N2 O7 P -","- C136 H176 B8 N16 O56 P8 -","8","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.117","0.0599","","","0.1424","0.1968","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020735","11.756","0.002","11.764","0.002","17.407","0.004","90","","90","","90","","2407.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}dibromidomercury(II)","","- C20 H18 Br2 Hg N10 -","- C20 H18 Br2 Hg N10 -","- C80 H72 Br8 Hg4 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0557","0.0421","","","0.0803","0.0858","","","","","","1.178","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020736","12.103","0.002","11.827","0.002","17.862","0.004","90","","90","","90","","2556.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)","","- C20 H18 Hg I2 N10 -","- C20 H18 Hg I2 N10 -","- C80 H72 Hg4 I8 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0526","0.048","","","0.0842","0.0862","","","","","","1.28","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020762","13.3089","0.0002","8.4494","0.0001","18.535","0.0003","90","","90","","90","","2084.3","0.05","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate","","- C16 H22 Cu N6 O9 -","- C16 H22 Cu N6 O9 -","- C64 H88 Cu4 N24 O36 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0416","0.0356","","","0.109","0.1128","","","","","","1.109","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020836","5.6462","0.0014","20.739","0.005","7.292","0.002","90","","90","","90","","853.9","0.4","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C48 H36 F4 -","4","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0495","0.045","","","0.1387","0.1434","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020859","6.9499","0.0007","9.0237","0.001","26.828","0.003","90","","90","","90","","1682.5","0.3","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Thymine‒catechol (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,3-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.059","0.0518","","","0.1302","0.1347","","","","","","1.103","","","","has coordinates,has Fobs","199945","2020-10-21","18:00:00",""
"2020865","16.9587","0.0003","7.8858","0.0001","13.8774","0.0003","90","","90","","90","","1855.87","0.06","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(2,6-dimethylpyridinium) tetrachloridocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0454","0.0308","","","0.0716","0.0782","","","","","","1.082","","","","has coordinates,has Fobs","200032","2020-10-21","18:00:00",""
"2020870","16.9411","0.0005","8.2218","0.0002","13.8212","0.0004","90","","90","","90","","1925.1","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(2,6-dimethylpyridinium) tetrachloridocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0462","0.0326","","","0.0876","0.098","","","","","","1.062","","","","has coordinates,has Fobs","200037","2020-10-21","18:00:00",""
"2020901","18.1534","0.0004","7.1814","0.0001","21.8523","0.0004","90","","90","","90","","2848.82","0.09","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate","","- C26 H24 Cu N8 O9 S2 -","- C26 H24 Cu N8 O9 S2 -","- C104 H96 Cu4 N32 O36 S8 -","4","0.5","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0497","0.0497","","","0.1052","0.1052","","","","","","1.335","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020998","27.0933","0.0011","11.2988","0.0004","7.8989","0.0003","90","","90","","90","","2418.03","0.16","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)calcium(I)]","","- C30 H22 Ca N2 O4 -","- C30 H22 Ca N2 O4 -","- C120 H88 Ca4 N8 O16 -","4","0.5","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.092","0.0505","","","0.1209","0.1457","","","","","","1.041","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2021192","7.5583","0.0007","12.7016","0.0011","15.7903","0.0014","90","","90","","90","","1515.9","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Furan-2,5-dicarboxylic acid dimethylformamide disolvate","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0427","0.0301","","","0.0621","0.0665","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021204","8.4524","0.0001","13.5387","0.0002","24.9813","0.0003","90","","90","","90","","2858.72","0.06","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0375","0.0367","","","0.1016","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021425","28.1283","0.0003","19.0989","0.0002","23.6339","0.0002","90","","90","","90","","12696.6","0.2","233","2","233","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[7-(4-Chlorophenyl)-1,1,3,3-tetraphenyl-5,6,7-triaza-κ<i>N</i>^7^-1,3λ^4^-diphospha-κ<i>P</i>^1^-hepta-4,6-dien-4-yl][methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(I) chloride‒dichloromethane‒toluene (2/3/1)","","- C62 H55 Cl5 Ir N3 P4 -","- C62 H55 Cl5 Ir N3 P4 -","- C496 H440 Cl40 Ir8 N24 P32 -","8","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0561","0.0423","","","0.1169","0.1264","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","212654","2020-10-21","18:00:00",""
"2021514","20.061","0.003","7.8464","0.001","11.6895","0.0012","90","","90","","90","","1840","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","KAP02082017","Benzene-1,2-diamine bis(benzoic acid)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKα","","0.0395","0.0303","","","0.0801","0.0867","","","","","","1.048","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021527","27.1721","0.0015","9.7995","0.0006","16.3477","0.0009","90","","90","","90","","4353","0.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ~3~-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine-κ^3^<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^6^]","","- C18 H12 Cd N8 O6 -","- C18 H12 Cd N8 O6 -","- C144 H96 Cd8 N64 O48 -","8","1","YF3167","Liu, Jian-Jun; Li, Li-Zhi; Chen, Chun-Ping; Wei, Jin-Zhong; Cheng, Fei-Xiang","A fourfold interpenetrating cadmium(II) metal‒organic framework based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine with reversible photochromic properties","Acta Crystallographica Section C","2019","75","3","372","377","10.1107/S2053229619002663","","","0.71073","MoKα","","0.0403","0.0294","","","0.0671","0.0717","","","","","","1.033","","","","has coordinates,has Fobs","213876","2020-10-21","18:00:00",""
"2021576","26.1542","0.0004","7.2708","0.0001","16.6719","0.0003","90","","90","","90","","3170.36","0.09","300","","297","","","","","","","","","4","P b c n","-P 2n 2ab","60","Benzoylmetronidazole‒malonic acid (4/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒malonic acid (4/1)","","- C29 H28 N6 O12 -","- C29 H28 N6 O12 -","- C116 H112 N24 O48 -","4","0.5","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0834","0.0779","","","0.2572","0.2678","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","214564","2020-10-21","18:00:00",""
"2021669","11.9385","0.0006","9.7023","0.0004","22.5975","0.001","90","","90","","90","","2617.5","0.2","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)","","- C26 H24 N10 Ni O2 -","- C26 H24 N10 Ni O2 -","- C104 H96 N40 Ni4 O8 -","4","0.5","YP3182","Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie","Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008040","","","0.71073","MoKα","","0.0654","0.0449","","","0.1153","0.1237","","","","","","1.05","","","","has coordinates,has Fobs","216001","2020-10-21","18:00:00",""
"2021686","19.0555","0.0006","12.384","0.0005","17.8388","0.0007","90","","90","","90","","4209.7","0.3","193","2","193","","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2-Bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol","","- C24 H26 N4 O -","- C24 H26 N4 O -","- C192 H208 N32 O8 -","8","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0696","0.0452","","","0.0959","0.1139","","","","","","1.1","","","","has coordinates,has Fobs","216559","2020-10-21","18:00:00",""
"2021793","7.0852","0.0007","7.2052","0.0007","16.431","0.002","90","","90","","90","","838.81","0.15","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Cu N2 O4 S -","- C6 H8 Cu N2 O4 S -","- C24 H32 Cu4 N8 O16 S4 -","4","0.5","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.038","0.038","","0.0577","0.0577","","","","3.26","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2021977","12.7692","0.0002","8.5258","0.0001","23.182","0.0003","90","","90","","90","","2523.77","0.06","100","0.1","100","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-(4-Methoxyphenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.063","0.0559","","","0.1368","0.1436","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2022164","12.2613","0.0008","9.9564","0.0006","16.2828","0.0012","90","","90","","90","","1987.8","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5,8,11,14,17-Hexathia-[9.9](2,5,3,6)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C64 H96 N8 S24 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.0347","0.0245","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates,has Fobs","252983","2020-10-21","18:00:00",""
"2022252","7.7416","0.0016","8.9487","0.0018","17.168","0.003","90","","90","","90","","1189.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methylenebis(5-amino-1,2,4-triazol-4-ium) dinitrate","","- C5 H10 N10 O6 -","- C5 H10 N10 O6 -","- C20 H40 N40 O24 -","4","0.5","WP3010","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate","Acta Crystallographica Section C","2020","76","10","965","971","10.1107/S2053229620012516","","","0.71073","MoKα","","0.0435","0.0359","","","0.0964","0.1029","","","","","","1.035","","","","has coordinates,has Fobs","259027","2020-11-06","23:56:11",""
"2022516","9.3633","0.0003","14.2339","0.0005","17.7479","0.0005","90","","90","","90","","2365.37","0.13","108","","108","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(2,6-diisopropylphenyl) tellurone","","- C24 H34 O2 Te -","- C24 H34 O2 Te -","- C96 H136 O8 Te4 -","4","0.5","EQ3003","Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto","Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000353","","","0.71073","MoKα","","0.0365","0.0248","","","0.0505","0.0548","","","","","","1.1","","","","has coordinates","272123","2022-01-19","02:32:57",""
"2022625","21.9637","0.0008","12.4106","0.0003","11.5844","0.0004","90","","90","","90","","3157.71","0.18","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Poly[[diaquabis[μ~4~-2-(pyrazin-2-yl)quinoline-4-carboxylato]dicopper(I)copper(II)] bis(tetrafluoridoborate)]","","- C28 H20 B2 Cu3 F8 N6 O6 -","- C28 H20 B2 Cu3 F8.006 N6 O6 -","- C112 H80 B8 Cu12 F32.024 N24 O24 -","4","0.5","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.54178","CuKα","","0.0357","0.0316","","","0.084","0.088","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","276307","2022-06-28","01:48:49",""
"2022657","9.2912","0.0012","11.9579","0.0019","17.267","0.003","90","","90","","90","","1918.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>cis</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>SR</i>,14<i>RS</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride","","- C14 H32 Cl3 Fe N4 -","- C14 H32 Cl3 Fe N4 -","- C56 H128 Cl12 Fe4 N16 -","4","0.5","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","1.54178","CuKα","","0.0992","0.0655","","","0.1679","0.1961","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","277477","2022-08-31","01:49:27",""
"2022679","8.4728","0.0003","6.01563","0.00018","6.1537","0.0002","90","","90","","90","","313.649","0.018","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Diiridium trisulfide","","- Ir2 S3 -","- Ir2 S3 -","- Ir8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.0327","0.0174","","","0.0293","0.0318","","","","","","1.047","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:10",""
"2022680","8.4672","0.0003","5.98537","0.00018","6.13921","0.00019","90","","90","","90","","311.131","0.017","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Dirhodium trisulfide","","- Rh2 S3 -","- Rh2 S3 -","- Rh8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.021","0.0176","","","0.044","0.0451","","","","","","1.14","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:11",""
"2022845","18.8065","0.001","10.0745","0.0006","28.847","0.003","90","","90","","90","","5465.5","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Dimethoxypyrimidyltennimide","3,11,19,27-Tetrakis(4,6-dimethoxypyrimidin-2-yl)-3,11,19,27,33,34,35,36-\ octaazapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-\ 1(33),5,7,9(36),13(35),14,16,21(34),22,24,29,31-dodecaen-\ 2,4,10,12,18,20,26,28-octone 0.167-hydrate","","- C52 H40.33 N16 O16.17 -","- C52 H40.334 N16 O16.167 -","- C208 H161.336 N64 O64.668 -","4","0.5","EX2073","Mocilac, Pavle; Pohl, Fabian; Gallagher, John F.","The unusual (syn-/anti-)2 conformation of a dimethoxypyrimidyl-based tennimide","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006837","","","1.54184","CuKα","","0.0819","0.0543","","","0.1353","0.1592","","","","","","1.034","","","","has coordinates,has Fobs","285857","2023-08-24","01:45:18",""
"2023115","18.1223","0.0007","9.984","0.0004","18.2863","0.0007","90","","90","","90","","3308.6","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,17-Dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene","","- C40 H38 Br2 O4 -","- C40 H38 Br2 O4 -","- C160 H152 Br8 O16 -","4","0.5","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0446","0.0298","","","0.0642","0.069","","","","","","1.036","","","","has coordinates","291490","2024-05-04","01:52:21",""
"2023204","14.877","0.003","8.9995","0.0018","13.635","0.003","90","","90","","90","","1825.5","0.7","100.15","","100.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-amino-3,5-difluorobenzoate","","- C9 H9 F2 N O2 -","- C9 H9 F2 N O2 -","- C72 H72 F16 N8 O16 -","8","1","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.0868","0.0599","","","0.1176","0.1307","","","","","","1.209","","","","has coordinates","293488","2024-07-20","01:58:38",""
"2023301","12.8146","0.0004","10.1523","0.0004","27.5618","0.001","90","","90","","90","","3585.7","0.2","200","0.1","200","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate","","- C34 H28 Cl2 N12 Ni O2 -","- C34 H28 Cl2 N12 Ni O2 -","- C136 H112 Cl8 N48 Ni4 O8 -","4","0.5","TX2090","Znovjyak, Kateryna; Shova, Sergiu; Panov, Dmitriy M.; Kariaka, Nataliia S.; Fritsky, Igor O.; Malinkin, Sergey O.; Seredyuk, Maksym","Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1235","1239","10.1107/S2056989024010338","","x-ray","0.71073","MoKα","","0.0607","0.0417","","","0.0802","0.087","","","","","","1.053","","","","has coordinates","295715","2024-11-01","02:56:05",""
"2100014","3.984","0.001","7.863","0.002","9.357","0.002","90","","90","","90","","293.12","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","dichloromethane","","","- C H2 Cl2 -","- C H2 Cl2 -","- C4 H8 Cl8 -","4","0.5","","Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak","In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane","Acta Crystallographica, Section B","2005","61","","595","600","10.1107/S0108768105017374","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100015","3.924","0.001","7.793","0.002","9.335","0.002","90","","90","","90","","285.46","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","dichloromethane","","","- C H2 Cl2 -","- C H2 Cl2 -","- C4 H8 Cl8 -","4","0.5","","Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak","In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane","Acta Crystallographica, Section B","2005","61","","595","600","10.1107/S0108768105017374","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100837","11.666","0.001","12.003","0.001","10.779","0.001","90","","90","","90","","1509.4","0.2","","","","","","","","","","","","4","P b c n","","","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","BX0577","Mizuguchi, J.; Grubenmann, A.; Wooden, G.; Rihs, G.","Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section B","1992","48","5","696","700","10.1107/S0108768192003033","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101136","8.033","0.001","22.77","0.006","8.193","0.001","90","","90","","90","","1498.6","0.5","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C15 H19 N3 S -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","0.5","AB0307","Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I.","Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K","Acta Crystallographica Section B","1994","50","3","358","363","10.1107/S010876819301242X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101137","8.0608","0.0009","22.941","0.003","8.266","0.002","90","","90","","90","","1528.6","0.5","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C15 H19 N3 S -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","0.5","AB0307","Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I.","Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K","Acta Crystallographica Section B","1994","50","3","358","363","10.1107/S010876819301242X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101290","26.639","0.004","16.667","0.002","10.538","0.002","90","","90","","90","","4678.8","1.3","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H52 Cl6 In N3 O14 -","- C40 H53 Cl6 In N3 O14 -","- C160 H212 Cl24 In4 N12 O56 -","4","0.5","SE0148","Spengler, R.; Lange, J.; Zimmermann, H.; Burzlaff, H.; Veltsistas, P. G.; Karayannis, M. I.","Structure of C~36~H~52~Cl~6~InN~3~O~14~","Acta Crystallographica Section B","1995","51","2","174","177","10.1107/S010876819400563X","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101359","9.964","0.001","20.181","0.003","11.622","0.003","90","","90","","90","","2337","0.7","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C31 H23 N O2 -","- C31 H26 N O2 -","- C124 H104 N4 O8 -","4","0.5","HR0011","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide","Acta Crystallographica Section B","1995","51","5","856","863","10.1107/S0108768194014540","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101482","13.081","0.006","9.027","0.004","6.545","0.003","90","","90","","90","","772.8","0.6","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C7 H3 N3 O4 -","- C7 H3 N3 O4 -","- C28 H12 N12 O16 -","4","0.5","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102050","17.503","0.002","7.731","0.0009","15.188","0.002","90","","90","","90","","2055.2","0.4","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H22 N2 O5 S2 -","- C21 H22 N2 O5 S2 -","- C84 H88 N8 O20 S8 -","4","0.5","SE0270","Nagel, Norbert; Bock, Hans; Eller, Peter","Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine","Acta Crystallographica Section B","2000","56","2","234","244","10.1107/S0108768199005790","","","0.71073","MoKα","","0.0595","0.0422","","0.1136","0.1007","","","","1.04","1.073","1.073","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102096","14.6861","0.0004","13.9799","0.0003","16.7063","0.0005","90","","90","","90","","3429.97","0.16","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","meta-schoepite","","","- H16 O20 U4 -","- O20 U4 -","- O160 U32 -","8","1","CF0009","Weller, Mark T.; Light, Mark E.; Gelbrich, Thomas","Structure of uranium(VI) oxide dihydrate, UO~3~·2H~2~O; synthetic <i>meta</i>-schoepite (UO~2~)~4~O(OH)~6~·5H~2~O","Acta Crystallographica Section B","2000","56","4","577","583","10.1107/S0108768199016559","","","0.71073","MoKα","","0.0906","0.0482","","","","0.1035","","","","","","0.951","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102734","13.875","0.006","11.492","0.003","19.887","0.003","90","","90","","90","","3171","1.7","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe Li O11 Sr Ti4 -","- Fe Li O11 Sr Ti4 -","- Fe16 Li16 O176 Sr16 Ti64 -","16","2","LC5052","Imaz, Inhar; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Kosseva, Iovka; Peshev, Pavel; Bouree, Francoise","Structural filiations in the new complex titanates SrLi<i>M</i>Ti~4~O~11~ (<i>M</i> = Cr, Fe)","Acta Crystallographica Section B","2007","63","1","26","36","10.1107/S0108768106041929","","","0.71073","MoKα","","","0.053","","","","0.085","","","","","","1.21","","","","has coordinates","204122","2020-10-21","18:00:00",""
"2102758","22.2727","0.0003","8.2207","0.0004","13.5916","0.0007","90","","90","","90","","2488.58","0.18","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine, Pbcn polymorph","","- C12 H9 Cl N4 O3 -","- C12 H9 Cl N4 O3 -","- C96 H72 Cl8 N32 O24 -","8","1","WS5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2007","63","1","101","110","10.1107/S0108768106041358","","","0.71073","MoKα","","0.0464","0.0323","","","0.0808","0.087","","","","","","1.042","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102829","13.4669","0.001","11.7471","0.0009","14.9271","0.0011","90","","90","","90","","2361.4","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(2-bromobenzylidene)-2-methylaniline","","- C14 H12 Br N -","- C14 H12 Br N -","- C112 H96 Br8 N8 -","8","1","GP5015","Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.","Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones","Acta Crystallographica Section B","2007","63","3","485","496","10.1107/S0108768107018034","","","0.71073","MoKα","","0.0345","0.0273","","","0.06","0.0625","","","","","","1.102","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102830","13.355","0.0012","11.6667","0.0011","14.9529","0.0014","90","","90","","90","","2329.8","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(2-methylbenzylidene)-2-bromoaniline","","- C14 H12 Br N -","- C14 H12 Br N -","- C112 H96 Br8 N8 -","8","1","GP5015","Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.","Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones","Acta Crystallographica Section B","2007","63","3","485","496","10.1107/S0108768107018034","","","0.71073","MoKα","","0.0345","0.0292","","","0.0653","0.0673","","","","","","1.129","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102966","4.1126","0.0008","8.0685","0.0016","9.755","0.002","90","","90","","90","","323.7","0.11","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","bromochloromethane","bromochloromethane","","- C H2 Br Cl -","- C H2 Br Cl -","- C4 H8 Br4 Cl4 -","4","0.5","AV5094","Podsiadło, Marcin; Katrusiak, Andrzej","Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl","Acta Crystallographica Section B","2007","63","6","903","911","10.1107/S0108768107044618","","","0.71073","MoKα","","0.0472","0.0295","","","0.0545","0.0579","","","","","","1.051","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102967","3.9929","0.0008","7.9351","0.0016","9.6808","0.0019","90","","90","","90","","306.73","0.11","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","bromochloromethane","bromochloromethane","","- C H2 Br Cl -","- C H2 Br Cl -","- C4 H8 Br4 Cl4 -","4","0.5","AV5094","Podsiadło, Marcin; Katrusiak, Andrzej","Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl","Acta Crystallographica Section B","2007","63","6","903","911","10.1107/S0108768107044618","","","0.71073","MoKα","","0.0342","0.0288","","","0.0622","0.0646","","","","","","1.199","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103338","6.874","0.0003","22.9815","0.0006","6.2999","0.0003","90","","90","","90","","995.23","0.07","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H10 Cu O7 -","- C8 H10 Cu O7 -","- C32 H40 Cu4 O28 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.54063","K=07~1~","","","","","","","","","","1.98","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2104024","4.0519","0.0006","5.0269","0.0006","4.5223","0.0006","90","","90","","90","","92.11","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","germanium dioxide","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.5","WS0004","Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki","Structural refinements of high-pressure phases in germanium dioxide","Acta Crystallographica Section B","2003","59","6","701","708","10.1107/S0108768103021761","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104370","38.7541","0.0016","10.1505","0.0004","10.555","0.0005","90","","90","","90","","4152.1","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C144 H192 N40 O32 P24 -","8","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0762","0.0619","","","0.125","0.1348","","","","","","1.081","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104619","11.978","0.001","12.653","0.001","10.363","0.001","90","","90","","90","","1570.6","0.2","295","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(2-Methylamino-4-methylimino-2-pentene)copper(II)","","- C14 H26 Cu N4 -","- C12 Cu N4 -","- C48 Cu4 N16 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105082","24.3381","0.0004","7.9334","0.0001","10.8791","0.0002","90","","90","","90","","2100.58","0.06","294","1","294","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Fpo","4-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0526","0.0422","","","0.1061","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105210","20.143","0.0011","10.9691","0.0004","8.2747","0.0004","90","","90","","90","","1828.3","0.15","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C64 H96 Br8 N8 O8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0477","0.0225","","","0.0492","0.0525","","","","","","0.896","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105618","16.409","0.003","7.619","0.001","13.544","0.006","90","","90","","90","","1693.3","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-hydroxy-5-methyl-4-(3'-methylpyrazol-5'-yl)pyrazole","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C64 H80 N32 O8 -","8","1","NA0091","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina","Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds","Acta Crystallographica Section B","1999","55","6","985","993","10.1107/S0108768199004966","","","0.71073","MoKα","","0.1142","0.0696","","","","0.1863","","","","","","1.046","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105775","14.1085","0.0003","7.7825","0.0002","18.0083","0.0004","90","","90","","90","","1977.3","0.08","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H11 Eu O8 -","- C7 H11 Eu O8 -","- C56 H88 Eu8 O64 -","8","1","BI5013","Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina","Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology","Acta Crystallographica Section B","2014","70","1","19","27","10.1107/S2052520613034550","","","0.71073","MoKα","","0.0323","0.0291","","","0.072","0.074","","","","","","1.134","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105966","18.843","0.003","16.642","0.003","12.307","0.002","90","","90","","90","","3859.3","1.1","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 N20 O18 Rh2 -","- C24 H36 N20 O18 Rh2 -","- C96 H144 N80 O72 Rh8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0494","0.0439","","","0.0781","0.08","","","","","","1.316","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105968","20.119","0.005","16.115","0.004","13.055","0.003","90","","90","","90","","4232.7","1.8","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H32 Cl4 N16 O18 Rh2 -","- C26 H32 Cl4 N16 O18 Rh2 -","- C104 H128 Cl16 N64 O72 Rh8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0621","0.0504","","","0.1182","0.1255","","","","","","1.162","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105975","10.4325","0.0008","6.7755","0.0012","18.6056","0.0014","90","","90","","90","","1315.1","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C40 H48 N16 O32 -","8","1","","Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla","Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds","Acta Crystallographica Section B","2014","70","6","942","947","10.1107/S2052520614018952","","","0.71073","MoKα","","0.0503","0.0412","","","0.1285","0.1396","","","","","","0.968","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105980","23.347","0.007","8.702","0.003","7.391","0.002","90","","90","","90","","1501.6","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 Ca Cl2 N2 O7 -","- C6 H20 Ca Cl2 N2 O7 -","- C24 H80 Ca4 Cl8 N8 O28 -","4","0.5","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0602","0.0366","","","0.0734","0.0826","","","","","","1.055","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106227","5.789","","11.55","","11.666","","90","","90","","90","","780.023","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(U O2) (N H2 O)2 (H2 O)3","","- H10 N2 O7 U -","- H10 N2 O7 U -","- H40 N8 O28 U4 -","4","0.5","","Adrian, H.W.W.; van Tets, A.","A low temperature neutron and X-ray diffraction study of U O2 (N H2 O)2 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2997","3000","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106368","5.798","","12.24","","5.214","","90","","90","","90","","370.025","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na2 Te O4","","- Na2 O4 Te -","- Na2 O4 Te -","- Na8 O16 Te4 -","4","0.5","","Kratochvil, B.; Jensovsky, L.","The crystal structure of sodium metatellurate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2596","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106571","12.4","","15.65","","12.05","","90","","90","","90","","2338.42","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","K3 (Rh Cl6) (H2 O)","","- Cl6 H2 K3 O Rh -","- Cl6 H2 K3 O Rh -","- Cl48 H16 K24 O8 Rh8 -","8","1","","Murray-Rust, P.; Murray-Rust, J.","The structure of K3 Rh Cl6 (H2 O); a comparison of two independent X-ray structure determinations","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1037","1040","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2106924","9.19","","10.891","","14.522","","90","","90","","90","","1453.48","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","K2 S5 O16","","- K2 O16 S5 -","- K2 O16 S5 -","- K8 O64 S20 -","4","0.5","","de Vries, R.; Mijlhoff, F.C.","The Crystal Structure of Potassium Pentasulphate K2 S5 O16","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1696","1699","","","","","","","","","","","","","","","","","","","","","","has coordinates","163784","2020-10-21","18:00:00",""
"2106927","4.976","","5.755","","11.07","","90","","90","","90","","317.01","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na (Ti F4)","","- F4 Na Ti -","- F4 Na Ti -","- F16 Na4 Ti4 -","4","0.5","","Omaly, J.; Avignant, D.; Batail, P.; Grandjean, D.; Cousseins, J.C.","Structure cristalline de alpha-Na Ti F4","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2106","2110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107194","11.639","","10.012","","7.548","","90","","90","","90","","879.566","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","K (Au Cl4) (H2 O)2","","- Au Cl4 H4 K O2 -","- Au Cl4 H2 K O2 -","- Au4 Cl16 H8 K4 O8 -","4","0.5","","Theobald, F.R.; Omrani, H.","Structure du Tetrachloroaurate(III) de Potassium Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2932","2935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107992","17.8252","0.0007","7.2708","0.0002","20.6396","0.0007","90","","90","","90","","2674.96","0.16","100.03","0.1","100.03","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 O2 -","- C13 H19 Cl N2 O2 -","- C104 H152 Cl8 N16 O16 -","8","1","UM5004","Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc","The orthorhombic pseudopolymorph of tacrine hydrochloride","Acta Crystallographica Section B","2016","72","5","771","774","10.1107/S2052520616011094","","","0.71073","MoKα","","0.0521","0.0423","","","0.1018","0.1067","","","","","","1.075","","","","has coordinates,has disorder","186844","2020-10-21","18:00:00",""
"2108047","15.8221","0.0011","10.4814","0.0009","10.5407","0.0008","90","","90","","90","","1748","0.2","","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Er10 O21 W2 -","- Er10 O21 W2 -","- Er40 O84 W8 -","4","0.5","","Bevan, D. J. M.; Drennan, J.; Rossell, H. J.","Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21","Acta Crystallographica, Section B","1982","38","","2991","2997","","","x-ray","1.54056","CuKα","","","","","","","","","0.051","","","","","","","","has coordinates","198231","2020-10-21","18:00:00",""
"2108048","15.8761","0.0013","10.5232","0.0008","10.5778","0.001","90","","90","","90","","1767.2","0.3","","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- O21 W2 Y10 -","- O21 W2 Y10 -","- O84 W8 Y40 -","4","0.5","","Bevan, D. J. M.; Drennan, J.; Rossell, H. J.","Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21","Acta Crystallographica, Section B","1982","38","","2991","2997","","","x-ray","1.54056","CuKα","","","","","","","","","0.037","","","","","","","","has coordinates","198232","2020-10-21","18:00:00",""
"2108090","22.4519","0.0012","18.1915","0.0009","8.0879","0.0004","90","","90","","90","","3303.4","0.3","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H23 F6 I2 N3 O7 S2 -","- C27 H23 F6 I2 N3 O7 S2 -","- C108 H92 F24 I8 N12 O28 S8 -","4","0.5","XM5006","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0756","0.0648","","","0.1177","0.1212","","","","","","1.313","","","","has coordinates,has disorder,has Fobs","199051","2020-10-21","18:00:00",""
"2108263","23.769","0.004","11.2921","0.0019","8.2022","0.0011","90","","90","","90","","2201.5","0.6","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C104 H112 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0434","0.0386","","","0.0953","0.0968","","","","","","1.368","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108268","11.9582","0.0011","9.106","0.0009","18.7079","0.0019","90","","90","","90","","2037.1","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 F N -","- C13 H14 F N -","- C104 H112 F8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0493","0.0419","","","0.1074","0.1124","","","","","","1.033","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108592","11.386","0.002","14.063","0.003","21.427","0.004","90","","90","","90","","3430.9","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H52 Cu N6 O6 -","- C30 H52 Cu N6 O6 -","- C120 H208 Cu4 N24 O24 -","4","0.5","","Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun","Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620002371","","","0.61","synchrotron","","0.0795","0.0507","","","0.1639","0.1782","","","","","","1.068","","","","has coordinates,has Fobs","249568","2020-10-21","18:00:00",""
"2200425","13.5626","0.0006","17.1534","0.0007","20.3567","0.0007","90","","90","","90","","4735.9","0.3","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetra-n-butylammonium Phenyltrifluoroborate","","- C22 H41 B F3 N -","- C22 H41 B F3 N -","- C176 H328 B8 F24 N8 -","8","1","CF6090","Quach, Tan D.; Batey, Robert A.; Lough, Alan J.","Tetra-<i>n</i>-butylammonium phenyltrifluoroborate","Acta Crystallographica Section E","2001","57","8","o688","o689","10.1107/S1600536801010443","","","0.71073","MoKα","","0.0928","0.0513","","","","0.1299","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200513","9.773","0.001","17.404","0.002","7.44","0.001","90","","90","","90","","1265.5","0.3","295","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C48 H32 Cu4 N16 O16 -","4","0.5","OM6023","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Second crystal form of dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section E","2001","57","7","m286","m287","10.1107/S1600536801007863","","","0.71073","MoKα","","","0.0369","","","","0.109","","","","","","1.154","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200557","22.7045","0.0006","11.1044","0.0003","14.2366","0.0002","90","","90","","90","","3589.33","0.14","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","NTA‒1,10-phenanthroline‒water (1/1/1)","Nitrilotriacetic acid‒1,10-phenanthroline‒water (1/1/1)","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C144 H152 N24 O56 -","8","1","WN6038","Shan, Ning; Bond, Andrew D.; Jones, William","NTA‒1,10-phenanthroline‒water (1/1/1)","Acta Crystallographica Section E","2001","57","8","o811","o813","10.1107/S1600536801012612","","","0.71073","MoKα","","0.0517","0.0398","","","","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200630","15.6898","0.0006","10.5854","0.0004","7.5745","0.0002","90","","90","","90","","1257.99","0.08","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Styrene","Styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","CF6127","Bond, Andrew D.; Davies, John E.","Styrene at 120K","Acta Crystallographica Section E","2001","57","12","o1191","o1193","10.1107/S1600536801019195","","","0.7107","MoKα","","0.0505","0.0376","","","","0.1004","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200727","15.6757","0.0012","10.4805","0.0008","7.5277","0.0006","90","","90","","90","","1236.72","0.17","83","2","83","2","","","","","","","","2","P b c n","-P 2n 2ab","60","styrene","styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","OB6089","Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi","Styrene at 83K","Acta Crystallographica Section E","2001","57","12","o1189","o1190","10.1107/S1600536801019237","","","0.71069","MoKα","","0.0433","0.0388","","","","0.0986","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200755","14.2861","0.0004","11.8522","0.0004","17.2215","0.0006","90","","90","","90","","2915.97","0.16","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 Mo2 N8 O7 -","- C26 H26 Mo2 N8 O7 -","- C104 H104 Mo8 N32 O28 -","4","0.5","TK6034","Guo, ShengLi; Wagner, Matthias; Bolte, Michael","Bis(μ-1-acetimido-4-phenylpyrazolone-<i>N</i>^2^:<i>O</i>)-μ-oxo-tetraoxodimolybdenum(VI) as its diacetonitrile adduct: a novel dinuclear molybdenum complex bridged by a 1-acetimido-4-phenylpyrazolone ligand","Acta Crystallographica Section E","2001","57","10","m428","m430","10.1107/S1600536801014428","","","0.71073","MoKα","","0.037","0.032","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200887","8.9014","0.0007","13.7809","0.0011","18.891","0.0015","90","","90","","90","","2317.3","0.3","295","2","295","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","bis(pyrazine-2-caboxamide)bis(trifluoromethanesulphonato)copper(II) monohydrate","","- C12 H12 Cu F6 N6 O9 S2 -","- C12 H12 Cu F6 N6 O9 S2 -","- C48 H48 Cu4 F24 N24 O36 S8 -","4","0.5","CM6000","Kristiansson, Olof","Bis(pyrazine-2-carboxamide)bis(trifluoromethanesulfonato)copper(II) monohydrate","Acta Crystallographica Section E","2002","58","3","m130","m132","10.1107/S1600536802003252","","","0.71073","MoKα","","0.0517","0.0367","","","0.1003","0.105","","","","","","0.887","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201092","10.6135","0.0006","12.6606","0.0008","23.328","0.0016","90","","90","","90","","3134.7","0.3","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Benzenesulfonyl(1-hydroxy-1,2-dihydronaphthalen-2-yl)acetonitrile","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C144 H120 N8 O24 S8 -","8","1","CI6122","Lough, Alan J.; Fagnou, Keith; Lautens, Mark","Benzenesulfonyl(1-hydroxy-1,2-dihydronaphthalen-2-yl)acetonitrile","Acta Crystallographica Section E","2002","58","6","o664","o665","10.1107/S1600536802008115","","","0.71073","MoKα","","0.06","0.048","","","0.122","0.129","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201243","7.3114","0.0004","10.9216","0.0006","6.1711","0.0003","90","","90","","90","","492.78","0.05","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","manganese ditellurite","","","- Mn O5 Te2 -","- Mn O5 Te2 -","- Mn4 O20 Te8 -","4","0.5","","Johnston, Magnus G.; Harrison, William T. A.","Managanese tellurite, β-MnTe~2~O~5~","Acta Crystallographica, Section E","2002","58","","i59","i61","10.1107/S1600536802010231","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2201417","7.9246","0.0013","12.543","0.002","16.015","0.003","90","","90","","90","","1591.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazole-1-carbothioamide","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C48 H72 N24 O8 S8 -","8","1","CM6010","Carballo, Rosa; Casas, J. Sergio; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","2,5-Dihydro-3,4-dimethyl-5-oxo-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2002","58","7","o787","o789","10.1107/S160053680201098X","","","0.71073","MoKα","","0.0581","0.0464","","","0.1251","0.1319","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201463","17.181","0.003","15.313","0.003","26.386","0.005","90","","90","","90","","6942","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[μ-bis(diphenylphosphino)amine-κP:P']bis[acetonitrilesiliver(I)] tris(cis-1,2-dicyanoethylene 1,2-dithiolate)molybdenate(IV)","","- C64 H48 Ag2 Mo N10 P4 S6 -","- C64 H48 Ag2 Mo N10 P4 S6 -","- C256 H192 Ag8 Mo4 N40 P16 S24 -","4","0.5","CV6151","Xu, Hong-Wu; Chen, Zhong-Ning; Wu, Ji-Gui","Bis[μ-bis(diphenylphosphino)amine-κ<i>P</i>:<i>P</i>']bis[acetonitrilesilver(I)] tris(<i>cis</i>-1,2-dicyanoethylene-1,2-dithiolate)molybdate(IV)","Acta Crystallographica Section E","2002","58","11","m631","m633","10.1107/S1600536802018408","","","0.71073","MoKα","","0.1322","0.063","","","0.1092","0.135","","","","","","1.165","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2201590","25.7075","0.0015","10.7351","0.0009","18.8469","0.0014","90","","90","","90","","5201.2","0.7","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(benzoylmethyltriphenylphosphonium) hexabromocadmate(II)","","- C52 H44 Br6 Cd2 O2 P2 -","- C52 H44 Br6 Cd2 O2 P2 -","- C208 H176 Br24 Cd8 O8 P8 -","4","0.5","OB6186","Baby Mariyatra, Mahimaidoss; Panchanatheswaran, Krishnaswamy; Goeta, Andres E.","Triphenyl(benzoylmethyl)phosphonium hexabromodicadmate(II): supramolecular aggregation through extensive C—H···Br and C—H···O interactions","Acta Crystallographica Section E","2002","58","12","m694","m696","10.1107/S1600536802019955","","","0.71073","MoKα","","0.0404","0.0256","","","0.0534","0.0578","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202576","25.236","0.001","9.6427","0.0005","14.0761","0.0006","90","","90","","90","","3425.3","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-μ-But-2-ene-1,4-diyl-dichlorobis(tri-tert- butylsilyl)digermanium(Ge‒Ge)","","- C28 H60 Cl2 Ge2 Si2 -","- C28 H60 Cl2 Ge2 Si2 -","- C112 H240 Cl8 Ge8 Si8 -","4","0.5","CV6225","Lerner, Hans-Wolfram; Dürner, Gerd; Bolte, Michael","<i>trans</i>-μ-But-2-ene-1,4-diyldichlorobis(tri-<i>tert</i>-butylsilyl)digermanium(Ge‒Ge)","Acta Crystallographica Section E","2003","59","9","m816","m817","10.1107/S1600536803018415","","","0.71073","MoKα","","0.046","0.027","","","0.055","0.059","","","","","","0.867","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202617","13.181","0.004","9.738","0.003","19.707","0.006","90","","90","","90","","2529.5","1.3","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cis-DichloroBis[N-(3-chlorophenyl)pyridine-2-carboxamide]manganese(II)","","- C24 H18 Cl4 Mn N4 O2 -","- C24 H18 Cl4 Mn N4 O2 -","- C96 H72 Cl16 Mn4 N16 O8 -","4","0.5","DN6093","Yang, Qi Yun; Qi, Jian Ying; Chan, Gang; Zhou, Zhong Yuan; Chan, Albert S. C.","<i>cis</i>-Dichlorobis[<i>N</i>-(3-chlorophenyl)pyridine-2-carboxamide]manganese(II)","Acta Crystallographica Section E","2003","59","11","m982","m984","10.1107/S1600536803021998","","","0.71073","MoKα","","0.0551","0.0366","","","0.095","0.1045","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202682","7.4063","0.0005","18.157","0.001","23.801","0.002","90","","90","","90","","3200.7","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Triaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate tetrahydrate'","","- C32 H36 Cu N4 O11 -","- C32 H36 Cu N4 O11 -","- C128 H144 Cu4 N16 O44 -","4","0.5","LH6079","Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Tetraaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate trihydrate","Acta Crystallographica Section E","2003","59","8","m614","m615","10.1107/S1600536803015290","","","0.71073","MoKα","","0.077","0.042","","","0.109","0.12","","","","","","0.91","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203070","17.1047","0.0011","16.8652","0.0011","18.9828","0.0012","90","","90","","90","","5476","0.6","130","0.2","130","0.2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H51 B F24 N2 Si2 -","- C46 H51 B F24 N2 Si2 -","- C184 H204 B4 F96 N8 Si8 -","4","0.5","HG6001","Kathryn Hassall; Jonathan White","Dimethyl(2-trimethylsilylethyl)[(2-trimethylsilylethyl)dimethylammonio]ammonium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate at 130K","Acta Crystallographica Section E","2004","60","1","o107","o108","10.1107/S1600536803025455","","","0.71073","MoKα","","0.0577","0.0464","","","0.1196","0.1261","","","","","","1.041","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203157","14.5978","0.001","8.1794","0.0006","16.9523","0.0012","90","","90","","90","","2024.1","0.2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine)diazidomanganese(II)","","- C20 H16 Mn N10 -","- C20 H16 Mn N10 -","- C80 H64 Mn4 N40 -","4","0.5","CF6322","Ya-Qian Cheng; Mao-Lin Hu; Sai-Rong Fan; Wei Zhang","Diazidobis(2,2'-bipyridine)manganese(II)","Acta Crystallographica Section E","2004","60","2","m212","m213","10.1107/S1600536804001308","","","0.71073","MoKα","","0.0601","0.0591","","","0.1371","0.1377","","","","","","1.341","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203182","10.6039","0.0011","12.9904","0.0014","18.1168","0.0014","90","","90","","90","","2495.6","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-phenyldiazenyl-6-methoxysalicylaldehyde","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","DN6114","Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet","6-Methoxy-5-(phenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2004","60","2","o230","o231","10.1107/S1600536804000819","","","0.71073","MoKα","","0.0668","0.0422","","","0.0922","0.0995","","","","","","0.841","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203215","27.2961","0.0009","14.4293","0.0017","7.568","0.004","90","","90","","90","","2980.8","1.6","293","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","p-[p^'^-methylphenylazo]-o-allylphenol monohydrate","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","OB6337","Karadayı, Nevzat; Turgut, Günseli; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","4-(4-Methylphenylazo)-2-allylphenol monohydrate","Acta Crystallographica Section E","2004","60","2","o176","o178","10.1107/S1600536803029751","","","0.71073","MoKα","","0.2183","0.0685","","","0.1482","0.1799","","","","","","0.882","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203341","28.6778","0.001","11.3532","0.0004","12.6453","0.0005","90","","90","","90","","4117.1","0.3","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κS)zinc perchlorate","","- C24 H40 Cl2 N8 O8 S8 Zn -","- C24 H40 Cl2 N8 O8 S8 Zn -","- C96 H160 Cl8 N32 O32 S32 Zn4 -","4","0.5","OM6212","Fujihara, Takashi; Sugaya, Tomoaki; Nagasawa, Akira; Nakayama, Juzo","Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κ<i>S</i>)zinc(II) diperchlorate","Acta Crystallographica Section E","2004","60","3","m282","m284","10.1107/S160053680400217X","","","0.71073","MoKα","","0.0886","0.0832","","","0.1702","0.1727","","","","","","1.31","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203357","6.9928","0.0006","8.7617","0.0004","15.0426","0.001","90","","90","","90","","921.64","0.11","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Sodium pentafluorouranate(IV) monohydrate","","- F5 H2 Na O U -","- F5 H Na O U -","- F40 H8 Na8 O8 U8 -","8","1","WM6010","Andreas Fischer; Zoltán Szabó","Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O","Acta Crystallographica Section E","2004","60","3","i45","i46","10.1107/S1600536804003241","","","0.71073","MoKα","","0.0295","0.0229","","","0.0459","0.0475","","","","","","1.253","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203467","22.1158","0.0016","12.8114","0.0009","21.802","0.002","90","","90","","90","","6177.3","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4,5-Bis(2-hydroxybenzoic acid methyl ester)phthalonitrile","Dimethyl 2,2'-(4,5-dimercapto-o-phenylenedioxy)dibenzoate","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C288 H192 N24 O72 -","12","1.5","NA6298","Ocak, Nazan; Büyükgüngör, Orhan; Akdemir, Nesuhi; Ag̃ar, Erbil; Özil, Musa; Erdönmez, Ahmet","Dimethyl 2,2'-(4,5-dicyano-<i>o</i>-phenylenedioxy)dibenzoate","Acta Crystallographica Section E","2004","60","4","o505","o507","10.1107/S1600536804004386","","","0.71073","MoKα","","0.1192","0.0441","","","0.0985","0.1176","","","","","","0.803","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203478","15.2773","0.0009","10.2049","0.0005","15.4099","0.0007","90","","90","","90","","2402.5","0.2","200.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 Br2 Mn N4 -","- C24 H24 Br2 Mn N4 -","- C96 H96 Br8 Mn4 N16 -","4","0.5","OB6344","Jun Sakamoto; Naokazu Yoshikawa; Hiroshi Takashima; Keiichi Tsukahara; Nobuko Kanehisa; Yasushi Kai; Keiko Matsumura","<i>cis</i>-Dibromobis(4,4'-dimethyl-2,2'-bipyridine)manganese(II)","Acta Crystallographica Section E","2004","60","4","m352","m353","10.1107/S1600536804004234","","","0.7107","MoKα","","","0.0615","","","","0.1159","","","","","","1.339","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203526","15.81","0.003","7.299","0.002","28.55","0.006","90","","90","","90","","3294.6","1.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Dimethylamino-6-(1-methyl-4-nitro-1H-pyrrol-2-yl)-1,3,5-triazine-2-amine dimethylformamide solvate","","- C13 H20 N8 O3 -","- C13 H20 N8 O3 -","- C104 H160 N64 O24 -","8","1","WW6174","Lu, Liping; Qin, Shidong; Zhu, Miaoli; Yang, Pin","4-Dimethylamino-6-(1-methyl-4-nitro-1<i>H</i>-pyrrol-2-yl)-1,3,5-triazine-2-amine dimethylformamide solvate","Acta Crystallographica Section E","2004","60","4","o583","o585","10.1107/S160053680400515X","","","0.71073","MoKα","","0.0975","0.0669","","","0.1303","0.1434","","","","","","1.167","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203565","19.227","0.004","14.948","0.003","36.427","0.007","90","","90","","90","","10469","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)","","- C30 H30 Mn N3 O3 -","- C30 H30 Mn N3 O3 -","- C480 H480 Mn16 N48 O48 -","16","2","CI6361","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)","Acta Crystallographica Section E","2004","60","5","m603","m605","10.1107/S1600536804009018","","","0.71073","MoKα","","0.1787","0.0686","","","0.1506","0.1842","","","","","","0.897","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203620","9.0245","0.0018","18.407","0.004","13.516","0.003","90","","90","","90","","2245.2","0.8","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c- tetrahydrocyclobuta[1,2-a;3,4-a']diindene-5,10-dione","","- C18 Cl12 O2 -","- C18 Cl12 O2 -","- C72 Cl48 O8 -","4","0.5","LH6196","Ying Peng; Su-Yuan Xie; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c-tetrahydrocyclobuta[1,2-<i>a</i>;3,4-<i>a</i>']diindene-5,10-dione","Acta Crystallographica Section E","2004","60","5","o762","o763","10.1107/S1600536804008177","","","0.71073","MoKα","","0.04","0.0321","","","0.087","0.0895","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203804","26.2518","0.0009","9.3899","0.0004","18.496","0.0006","90","","90","","90","","4559.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2-Methylbenzimidaxolyl-κN)(triphenylphosphine-κP)gold(I) hemihydrate","","- C26 H23 Au N2 O0.5 P -","- C26 H23 Au N2 O0.5 P -","- C208 H184 Au8 N16 O4 P8 -","8","1","SU6098","Li, Dan; Wu, Tao; Ng, Seik Weng","(2-Methylbenzimidazolyl-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)gold(I) hemihydrate","Acta Crystallographica Section E","2004","60","6","m728","m729","10.1107/S1600536804010268","","","0.71073","MoKα","","0.068","0.038","","","0.08","0.092","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204033","14.071","0.007","8.985","0.006","17.23","0.03","90","","90","","90","","2178","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis(1,10-phenanthroline-κ^2^N,N')cadmium(II)","","- C24 H16 Cd N10 -","- C24 H16 Cd N10 -","- C96 H64 Cd4 N40 -","4","0.5","HB6066","Xiang He; Can-Zhong Lu; Xiao-Yuan Wu; Quan-Zheng Zhang; Shui-Mei Chen; Jiu-Hui Liu","Diazidobis(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II)","Acta Crystallographica Section E","2004","60","8","m1124","m1125","10.1107/S1600536804016654","","","0.71073","MoKα","","0.0733","0.0537","","","0.1161","0.125","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204066","29.7459","0.0006","11.2443","0.0002","8.8337","0.0002","90","","90","","90","","2954.6","0.1","293","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C128 H128 O24 S8 -","8","1","OB6382","Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu","(Z)-1-Methoxy-1-phenyl-2-(4-toluenesulfonyl)ethene","Acta Crystallographica, Section E","2004","60","8","o1325","o1326","10.1107/S1600536804016356","","","0.7107","MoKα","","","0.047","","","","0.143","","","","","","1.003","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204117","17.738","0.003","9.218","0.002","9.216","0.001","90","","90","","90","","1506.9","0.4","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C4 H12 O4 P2 Pb S4 -","- C4 H12 O4 P2 Pb S4 -","- C16 H48 O16 P8 Pb4 S16 -","4","0.5","AC6113","Tetsuzo Ito; Yoshinori Maeda","Linear-chain bis(μ-<i>O,O</i>'-dimethyl dithiophosphato)lead(II)","Acta Crystallographica Section E","2004","60","9","m1349","m1350","10.1107/S1600536804020914","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","1.261","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204131","13.53","0.004","10.987","0.004","11.916","0.003","90","","90","","90","","1771.4","0.9","174.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H24 Br2 -","- C20 H24 Br2 -","- C80 H96 Br8 -","4","0.5","CF6350","Hemamala Karunadasa; Christina Leggett; Shaun Wong","2,2'-Dibromo-3,3',4,4',5,5',6,6'-octamethyl-1,1'-biphenyl","Acta Crystallographica Section E","2004","60","9","o1499","o1500","10.1107/S160053680401709X","","","0.7107","MoKα","","","0.0377","","","","0.0499","","","","","","1.85","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204407","16.25","0.003","10.0614","0.0015","20.021","0.003","90","","90","","90","","3273.4","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)cadmium(II) hexahydrate","","- C25 H41 Cd N7 O18 -","- C25 H41 Cd N7 O18 -","- C100 H164 Cd4 N28 O72 -","4","0.5","WN6276","Fu, Ai-Yun; Wang, Da-Qi; Liu, Ai-Zhen","Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O,O</i>',<i>N</i>)cadmium(II) hexahydrate","Acta Crystallographica Section E","2004","60","10","m1372","m1373","10.1107/S1600536804021567","","","0.71073","MoKα","","0.0493","0.0277","","","0.0612","0.067","","","","","","0.952","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2204456","12.0231","0.0012","14.269","0.003","14.559","0.003","90","","90","","90","","2497.7","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris(ethylenediamine-κ^2^N,N')zinc(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']zincate(II)","","- C14 H24 N10 S4 Zn2 -","- C14 H24 N10 S4 Zn2 -","- C56 H96 N40 S16 Zn8 -","4","0.5","CF6385","Fu, Ai-Yun; Wang, Da-Qi; Yu, Tao","Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis[2,3-dimercaptobutenedinitrile(2‒)-κ^2^<i>S,S</i>']zincate(II)","Acta Crystallographica Section E","2004","60","11","m1736","m1737","10.1107/S160053680402714X","","","0.71073","MoKα","","0.0969","0.0541","","","0.1257","0.1381","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205142","19.7","0.004","13.097","0.003","20.021","0.004","90","","90","","90","","5165.6","1.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Hexaaquazinc(II) bis(perchlorate) 2,5-dimethylpyrazine 1,4-dioxide","","- C12 H28 Cl2 N4 O18 Zn -","- C12 H28 Cl2 N4 O18 Zn -","- C96 H224 Cl16 N32 O144 Zn8 -","8","1","RN6035","Lu, Jian Jun; Shi, Jing Min","Hexaaquazinc(II) bis(perchlorate) bis(2,5-dimethylpyrazine 1,4-dioxide)","Acta Crystallographica Section E","2005","61","2","m327","m328","10.1107/S1600536805001005","","","0.71073","MoKα","","0.0705","0.0542","","","0.1312","0.1415","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205307","18.8196","0.0007","18.4938","0.0008","13.5023","0.0006","90","","90","","90","","4699.4","0.3","180","2","180","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Acetato(methanol)[N-phenyl-N,N-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate","","- C21 H24 Cu F6 N3 O3 P -","- C21 H24 Cu F6 N3 O3 P -","- C168 H192 Cu8 F48 N24 O24 P8 -","8","1","LH6362","Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Acetato(methanol)[<i>N</i>-phenyl-<i>N,N</i>-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","3","m478","m480","10.1107/S160053680500348X","","","0.71073","MoKα","","0.0565","0.04","","","0.1132","0.1196","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205329","7.8042","0.0011","7.3159","0.0011","21.753","0.003","90","","90","","90","","1242","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one","","- C11 H10 N4 O S2 -","- C11 H10 N4 O S2 -","- C44 H40 N16 O4 S8 -","4","0.5","OB6475","Wu, Ben-Lai; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun","1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one","Acta Crystallographica Section E","2005","61","3","o594","o595","10.1107/S1600536805003715","","","0.71073","MoKα","","0.0944","0.0615","","","0.0949","0.1062","","","","","","1.151","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2205359","11.2958","0.0006","12.748","0.0008","17.5607","0.0008","90","","90","","90","","2528.7","0.2","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Phenyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C104 H80 N32 S8 -","8","1","SJ6046","Sema Öztürk Yıldırım; Mehmet Akkurt; Ahmet Çetin; Ahmet Cansız; Memet Şekerci; Canan Kazak","4-Phenyl-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o619","o621","10.1107/S1600536805003983","","","0.71073","MoKα","","0.056","0.031","","","0.071","0.076","","","","","","0.9","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205428","24.1025","0.0004","11.0675","0.0005","19.0716","0.0002","90","","90","","90","","5087.4","0.3","295","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C240 H256 N16 O32 -","8","1","BV6011","Shan-Zhong Jian; Jian-Ming Gu; Yan-Guang Wang","3-[(2<i>R</i>*,3<i>S</i>*)-3-(2-Methoxyanilino)-2-methyl-3-phenylpropionyl]spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o990","o991","10.1107/S1600536805007361","","","0.7107","MoKα","","","0.031","","","","0.063","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205502","12.1981","0.001","10.1097","0.0008","19.9112","0.0016","90","","90","","90","","2455.4","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Phenyl-1-(1H-1,2,4-triazol-3-ylcarbonyl)thiosemicarbazide","","- C10 H10 N6 O S -","- C10 H10 N6 O S -","- C80 H80 N48 O8 S8 -","8","1","HG6140","Ding-Ben Chen; Ling Huang; Fu-You Pan; Jian-Guo Yang","4-Phenyl-1-(1<i>H</i>-1,2,4-triazol-3-ylcarbonyl)thiosemicarbazide","Acta Crystallographica Section E","2005","61","4","o836","o837","10.1107/S1600536805003387","","","0.71073","MoKα","","0.0746","0.0419","","","0.0699","0.0768","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205788","16.0767","0.0012","11.2793","0.001","8.9528","0.0005","90","","90","","90","","1623.4","0.2","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","N,N-Bis-(3-methylphenyl)-N-(4-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C84 H84 N4 -","4","0.5","RN6045","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N</i>,<i>N</i>-Bis-(3-methylphenyl)-<i>N</i>-(4-methylphenyl)amine","Acta Crystallographica Section E","2005","61","5","o1297","o1299","10.1107/S1600536805010457","","","0.71073","MoKα","","0.101","0.0583","","","0.1468","0.1696","","","","","","1.058","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206100","11.735","0.002","12.964","0.003","11.82","0.002","90","","90","","90","","1798.2","0.6","292","2","292","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","1,2-Dimethyl-4,5-bis(phenylethynyl)benzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","WN6353","Nengfang She; Huizhen Guo; Yitao Li; Anxin Wu","1,2-Dimethyl-4,5-bis(phenylethynyl)benzene","Acta Crystallographica Section E","2005","61","6","o1790","o1792","10.1107/S1600536805014820","","","0.71073","MoKα","","0.0972","0.0582","","","0.1374","0.1593","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206167","18.476","0.004","11.494","0.002","8.4632","0.0017","90","","90","","90","","1797.3","0.6","292","2","292","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,2-Dimethyl-4,5-bis(phenoxymethyl)benzene","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","0.5","CV6522","Guo-Dong Yin; Zhi-Guo Wang; An-Xin Wu","1,2-Dimethyl-4,5-bis(phenoxymethyl)benzene","Acta Crystallographica Section E","2005","61","7","o2148","o2149","10.1107/S1600536805018076","","","0.71073","MoKα","","0.0729","0.0447","","","0.1101","0.1201","","","","","","0.893","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206888","5.3602","0.0009","7.5178","0.0008","11.791","0.002","90","","90","","90","","475.14","0.12","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Malonamide","Malonamide","","- C3 H6 N2 O2 -","- C3 H6 N2 O2 -","- C12 H24 N8 O8 -","4","0.5","BT6746","Nichol, Gary S.; Clegg, William","Malonamide: an orthorhombic polymorph","Acta Crystallographica Section E","2005","61","10","o3427","o3429","10.1107/S1600536805030540","","","0.71073","MoKα","","0.0338","0.0306","","","0.0807","0.0829","","","","","","1.111","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206968","16.1964","0.0009","8.0465","0.0004","22.5076","0.0013","90","","90","","90","","2933.3","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(1H-benzimidazol-2-yl)phenolato]copper(II) dimethylformamide disolvate","","- C32 H32 Cu N6 O4 -","- C32 H32 Cu N6 O4 -","- C128 H128 Cu4 N24 O16 -","4","0.5","HG6221","Xi, Yun; Li, Jun; Zhang, Fengxing","Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato]copper(II) dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","10","m1953","m1954","10.1107/S1600536805027844","","","0.71073","MoKα","","0.0805","0.0425","","","0.1012","0.1153","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207023","18.334","0.0008","12.0404","0.0005","19.1304","0.0008","90","","90","","90","","4223","0.3","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(O,O'-dicyclohexyl dithiophosphato-κ^2^,S,S')zinc(II)]- μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^N:N']","","- C36 H54 N4 O4 P2 S4 Zn -","- C36 H54 N4 O4 P2 S4 Zn -","- C144 H216 N16 O16 P8 S16 Zn4 -","4","0.5","NG6201","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dicyclohexyldithiophosphato-κ^2^,<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2005","61","10","m2052","m2054","10.1107/S1600536805029466","","","0.71069","MoKα","","0.073","0.057","","","0.128","0.137","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207026","16.4609","0.001","17.6108","0.0011","13.8677","0.0009","90","","90","","90","","4020.1","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-Bis(benzimidazol-1-ium-2-ylmethyl)-N,N'-bis(benzimidazol-2- ylmethyl)cyclohexane-1,2-trans-diamine bis(perchlorate) dihydrate","","- C38 H44 Cl2 N10 O10 -","- C38 H44 Cl2 N10 O10 -","- C152 H176 Cl8 N40 O40 -","4","0.5","OB6538","Li, Ji; Meng, Xiang-Gao; Liao, Zhan-Ru","<i>N</i>,<i>N</i>'-Bis(benzimidazol-1-ium-2-ylmethyl)-<i>N</i>,<i>N</i>'-bis(benzimidazol-2-ylmethyl)cyclohexane-1,2-<i>trans</i>-diamine bis(perchlorate) dihydrate","Acta Crystallographica Section E","2005","61","10","o3421","o3423","10.1107/S1600536805022865","","","0.71073","MoKα","","0.0675","0.0587","","","0.1657","0.1739","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207047","19.5053","0.0016","14.0326","0.0012","20.2636","0.0017","90","","90","","90","","5546.4","0.8","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocobaltate(II)","","- C8 H18 Cl4 Co N2 -","- C8 H18 Cl4 Co N2 -","- C128 H288 Cl64 Co16 N32 -","16","2","OM6260","Qu, Yang; Sun, Xian-Ming","<i>N</i>,<i>N</i>'-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocobaltate(II)","Acta Crystallographica Section E","2005","61","10","m2121","m2123","10.1107/S160053680503045X","","","0.71073","MoKα","","0.0475","0.0351","","","0.0819","0.0884","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207243","7.2391","0.0009","10.658","0.001","5.988","0.0006","90","","90","","90","","462","0.09","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Magnesium ditellurite","magnesium pentaoxoditellurate(IV)","","- Mg O5 Te2 -","- Mg O5 Te2 -","- Mg4 O20 Te8 -","4","0.5","HB6289","Weil, Matthias","Redetermination of MgTe~2~O~5~","Acta Crystallographica, Section E","2005","61","11","i237","i239","10.1107/S1600536805033751","","","0.71073","MoKα","","0.0207","0.0181","","","0.04","0.041","","","","","","1.245","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2207372","13.147","0.005","10.088","0.005","17.549","0.005","90","","90","","90","","2327.5","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1,10-phenanthroline)dithiocyanatozinc(II)","","- C26 H16 N6 S2 Zn -","- C26 H16 N6 S2 Zn -","- C104 H64 N24 S8 Zn4 -","4","0.5","WK6066","Ying-Ying Liu; Jian-Fang Ma; Jin Yang","Bis(1,10-phenanthroline)dithiocyanatozinc(II)","Acta Crystallographica Section E","2005","61","11","m2367","m2368","10.1107/S1600536805033714","","","0.71069","MoKα","","0.0835","0.038","","","0.0925","0.1004","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207427","12.5131","0.0006","13.2636","0.0006","16.5594","0.0007","90","","90","","90","","2748.3","0.2","296","","296","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 Br N2 O3 -","- C14 H11 Br N2 O3 -","- C112 H88 Br8 N16 O24 -","8","1","AT6054","Şahin, Onur; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4276","o4278","10.1107/S1600536805038365","","","0.71073","MoKα","","0.0618","0.0374","","","0.0811","0.0908","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207526","18.5563","0.0011","7.7666","0.0005","27.4354","0.0017","90","","90","","90","","3954","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,3-Bis(3,4,5-trimethoxyphenyl)-2,3-epoxypropanone","","- C21 H24 O8 -","- C21 H24 O8 -","- C168 H192 O64 -","8","1","DN6279","Cuthbertson, Timothy; Groy, Thomas L.; Rose, Seth D.","1,3-Bis(3,4,5-trimethoxyphenyl)-2,3-epoxypropanone: an anticancer chalcone epoxide","Acta Crystallographica Section E","2005","61","12","o4300","o4302","10.1107/S1600536805038328","","","0.71073","MoKα","","0.074","0.0632","","","0.1321","0.1368","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207579","21.3","0.008","7.756","0.003","15.227","0.006","90","","90","","90","","2515.5","1.7","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Acetylphenyl phenyl sulfone","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","1","JH6019","Guo, Shengrong; Yuan, Yanqin","4-Acetylphenyl phenyl sulfone","Acta Crystallographica Section E","2005","61","12","o4032","o4033","10.1107/S1600536805034252","","","0.71073","MoKα","","0.0489","0.0445","","","0.1157","0.1194","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207660","32.045","0.002","8.7676","0.0007","15.9796","0.001","90","","90","","90","","4489.6","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Kynathrin cinnamic acid","2-amino-4,6-dimethylpyrimidine–cinnamic acid (1/2)","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","SU6236","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Ramaswamy Karunanandam RajaRam; Balasubramanian Sridhar","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidine–cinnamic acid (1/2)","Acta Crystallographica, Section E","2005","61","1","o4203","o4205","10.1107/S160053680503730X","","","0.71073","MoKα","","0.1074","0.048","","","0.1221","0.1576","","","","","","1.028","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2207752","22.737","0.007","7.28","0.002","15.28","0.004","90","","90","","90","","2529.2","1.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1-[3,5-Bis(bromomethyl)-2,4,6-trimethoxybenzyl]-3,5-bis(bromomethyl)-2,4,6- trimethoxybenzene","","- C23 H28 Br4 O6 -","- C23 H28 Br4 O6 -","- C92 H112 Br16 O24 -","4","0.5","CI6723","Morgans, G. L.; Otterlo, W. A. L. van; Michael, J. P.; Fernandes, M. A.","1-[3,5-Bis(bromomethyl)-2,4,6-trimethoxybenzyl]-3,5-bis(bromomethyl)-2,4,6-trimethoxybenzene","Acta Crystallographica Section E","2006","62","1","o168","o170","10.1107/S1600536805040559","","","0.71073","MoKα","","0.0421","0.0283","","","0.0688","0.0726","","","","","","0.981","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207760","8.0505","0.0006","14.0971","0.001","21.899","0.0015","90","","90","","90","","2485.3","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","1","CV6613","Sundar, T. V.; Parthasarathi, V.; Sridhar, B.; Venkatesan, P.; Nallu, M.","2-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","1","o74","o76","10.1107/S1600536805039735","","","0.71073","MoKα","","0.0387","0.0317","","","0.0804","0.0847","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207790","16.297","0.004","10.6","0.003","14.649","0.005","90","","90","","90","","2530.6","1.3","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Benzimidazolium 3,5-dihydroxybenzoate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","HG6284","Xuan Huang; Jia-Geng Liu; Duan-Jun Xu","Benzimidazolium 3,5-dihydroxybenzoate","Acta Crystallographica Section E","2006","62","1","o276","o278","10.1107/S160053680504170X","","","0.71073","MoKα","","0.048","0.041","","","0.112","0.115","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207949","10.615","0.003","9.8137","0.0018","12.768","0.003","90","","90","","90","","1330.1","0.5","298","2","296","1","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6,2',6'-Tetrabromobiphenyl","2,6,2',6'-Tetrabromobiphenyl","","- C12 H6 Br4 -","- C12 H6 Br4 -","- C48 H24 Br16 -","4","0.5","AC6215","Estrada, Jesús; Aguirre, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain","2,2',6,6'-Tetrabromobiphenyl","Acta Crystallographica Section E","2006","62","2","o388","o389","10.1107/S1600536805042145","","","0.71073","MoKα","","0.0911","0.0481","","","0.107","0.1274","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208220","11.434","0.002","14.817","0.003","8.7828","0.0018","90","","90","","90","","1488","0.5","291","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","silver(I),bis(8-hydroxyquinoline)","(Quinolin-8-ol-κ^2^N,O)(quinolin-8-olato-κ^2^N,O)silver(I)","","- C18 H13 Ag N2 O2 -","- C18 H13 Ag N2 O2 -","- C72 H52 Ag4 N8 O8 -","4","0.5","XU6094","Hua Wu; Xian-Wu Dong; Hai-Yan Liu; Jian-Fang Ma","(Quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","Acta Crystallographica Section E","2006","62","2","m281","m282","10.1107/S160053680600095X","","","0.71073","MoKα","","0.049","0.025","","","0.045","0.047","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208235","14.44","0.003","10.753","0.002","23.222","0.005","90","","90","","90","","3605.8","1.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{2-[1-(adamantan-1-yl)ethyliminomethyl]phenolato-κO}dichloromanganese(II)","","- C38 H50 Cl2 Mn N2 O2 -","- C38 H50 Cl2 Mn N2 O2 -","- C152 H200 Cl8 Mn4 N8 O8 -","4","0.5","AT2004","Juan-Lan Huang; Yi-Hang Wen","Bis{2-[1-(adamantan-1-yl)ethyliminomethyl]phenolato-κ<i>O</i>}dichloromanganese(II)","Acta Crystallographica Section E","2006","62","3","m611","m612","10.1107/S1600536806006283","","","0.71073","MoKα","","","0.0424","","","0.1195","0.1296","","","","","","1.061","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208336","13.603","0.003","9.401","0.0019","16.749","0.003","90","","90","","90","","2141.9","0.7","292","3","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","dicyanatobis(1,10-phenanthroline)manganese(II)","","- C26 H16 Mn N6 O2 -","- C26 H16 Mn N6 O2 -","- C104 H64 Mn4 N24 O8 -","4","0.5","HG2002","Li, Zhan-Xian; Yu, Ming-Ming; Ni, Zhong-Hai; Kou, Hui-Zhong; Fu, Wen-Fu","Dicyanatobis(1,10-phenanthroline)manganese(II)","Acta Crystallographica Section E","2006","62","3","m486","m487","10.1107/S1600536806004338","","","0.71073","MoKα","","0.036","0.0318","","","0.0644","0.0665","","","","","","1.053","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208357","18.247","0.004","14.083","0.003","14.736","0.003","90","","90","","90","","3786.7","1.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(1H-Indol-3-yl)-2-[3-(4-methoxybenzoyl)thioureido]propionic acid","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C160 H152 N24 O32 S8 -","8","1","HK6084","Ngah, Nurziana; Dariman, Najihah; Yamin, Bohari M.","3-(1<i>H</i>-Indol-3-yl)-2-[3-(4-methoxybenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2006","62","3","o1025","o1027","10.1107/S1600536806004065","","","0.71073","MoKα","","0.087","0.071","","","0.133","0.139","","","","","","1.26","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208380","12.7941","0.0009","13.5868","0.0008","9.5283","0.0006","90","","90","","90","","1656.31","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,6-dichlorobenzamide","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","LH6591","Rauf, M. Khawar; Badshah, Amin; Bolte, Michael; Saeed, Aamer","2,6-Dichlorobenzamide","Acta Crystallographica Section E","2006","62","3","o1070","o1071","10.1107/S1600536806005289","","","0.71073","MoKα","","0.0314","0.0301","","","0.0769","0.0778","","","","","","1.109","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208736","18.0971","0.0011","16.2516","0.001","15.3735","0.0009","90","","90","","90","","4521.5","0.5","100","1","100","1","","","","","","","","2","P b c n","-P 2n 2ab","60","","1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)- 1,6,12,15,18,23,25,41,45,57-decahydro(C~60~-I~h~)[5,6]fullerene","","- C70 F30 -","- C70 F30 -","- C280 F120 -","4","0.5","TK2009","Kareev, Ivan E.; Lebedkin, Sergey F.; Popov, Alexey A.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)-1,6,12,15,18,23,25,41,45,57-decahydro(C~60~‒<i>I</i>~h~)[5,6]fullerene","Acta Crystallographica Section E","2006","62","4","o1501","o1503","10.1107/S1600536806008300","","","0.71073","MoKα","","0.077","0.047","","","0.111","0.129","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208895","13.927","0.009","11.7","0.01","31.83","0.02","90","","90","","90","","5187","6","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis[1,3,5-tris(imidazol-1-ylmethyl)-2,4,6- trimethylbenzene]hexabromotrimercury(II)]","","- C42 H48 Br6 Hg3 N12 -","- C42 H48 Br6 Hg3 N12 -","- C168 H192 Br24 Hg12 N48 -","4","0.5","HB2038","Xiao-Feng Wang; Yang Lv; Taka-aki Okamura; Wei-Yin Sun; Norikazu Ueyama","Poly[hexabromobis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene]trimercury(II)]","Acta Crystallographica Section E","2006","62","5","m1124","m1126","10.1107/S1600536806014607","","","0.71075","MoKα","","0.0582","0.0291","","","0.0308","0.0316","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208913","12.3199","0.0015","13.0849","0.0017","16.6349","0.0016","90","","90","","90","","2681.6","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C112 H88 Cl8 N16 O24 -","8","1","IS2010","Karadayı, Nevzat; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","5","o1699","o1701","10.1107/S1600536806009858","","","0.71073","MoKα","","0.076","0.0341","","","0.0564","0.0608","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208979","15.9337","0.0011","10.8421","0.0008","28.542","0.002","90","","90","","90","","4930.8","0.6","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9H-carbazole","","- C34 H22 Br N -","- C34 H22 Br N -","- C272 H176 Br8 N8 -","8","1","RZ2017","Shou-Cai Zhang; Guang-Bo Che; Bo Liu","9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","5","o1814","o1815","10.1107/S1600536806012256","","","0.71073","MoKα","","0.1174","0.0429","","","0.0797","0.0964","","","","","","0.783","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209188","21.914","0.002","5.6447","0.0006","15.4723","0.0015","90","","90","","90","","1913.9","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-oxapentane-1,5-diyl bis(p-toluenesulfonate)","","- C18 H22 O7 S2 -","- C18 H22 O7 S2 -","- C72 H88 O28 S8 -","4","0.5","HB2051","Andrey A. Yakovenko; Jose B. Gallegos; Robert D. Long; Tatiana V. Timofeeva; Mikhail Yu. Antipin","An orthorhombic polymorph of 3-oxapentane-1,5-diyl bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section E","2006","62","6","o2484","o2486","10.1107/S1600536806018782","","","0.71073","MoKα","","0.0339","0.0317","","","0.0672","0.0683","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209245","13.9913","0.0012","11.3985","0.0008","7.2081","0.0005","90","","90","","90","","1149.55","0.15","150","1","150","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dibenzyl sulphide","","- C14 H14 S -","- C14 H14 S -","- C56 H56 S4 -","4","0.5","LH2059","Hansson, Christian","Dibenzyl sulfide at 150 K","Acta Crystallographica Section E","2006","62","6","o2377","o2379","10.1107/S1600536806017491","","","0.71073","MoKα","","0.0508","0.0392","","","0.1131","0.1187","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209261","12.5402","0.0015","9.8173","0.001","19.135","0.002","90","","90","","90","","2355.7","0.4","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-(1-ethoxycarbonylmethyl)pyridinium iodide","","- C9 H13 I N2 O2 -","- C9 H13 I N2 O2 -","- C72 H104 I8 N16 O16 -","8","1","LH2083","Seethalakshmi, T.; Venkatesan, P.; Fronczek, F. R.; Kaliannan, P.; Thamotharan, S.","4-Amino-(1-ethoxycarbonylmethyl)pyridinium iodide","Acta Crystallographica Section E","2006","62","6","o2560","o2562","10.1107/S1600536806019283","","","0.71073","MoKα","","0.043","0.028","","","0.063","0.068","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209593","14.1016","0.0008","9.8811","0.0006","27.016","0.002","90","","90","","90","","3764.4","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole","","- C20 H8 Cl4 N4 O -","- C20 H8 Cl4 N4 O -","- C160 H64 Cl32 N32 O8 -","8","1","LH2088","Ye, E; Zhang, Yong-Wei; Wang, Hui; Niu, Yun-Yin; Ng, Seik Weng","2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2006","62","7","o2594","o2595","10.1107/S1600536806019702","","","0.71073","MoKα","","0.064","0.038","","","0.089","0.103","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209811","13.167","0.002","11.055","0.002","15.534","0.002","90","","90","","90","","2261.1","0.6","220","1","220","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(2,2'-bipyridine-κ^2^N,N')copper(II)]-μ-cyano- dicyanoplatinate(II)-μ-cyano]","","- C24 H16 Cu N8 Pt -","- C24 H16 Cu N8 Pt -","- C96 H64 Cu4 N32 Pt4 -","4","0.5","CS2008","Vavra, Martin; Potočňák, Ivan; Steinborn, Dirk; Wagner, Christoph","<i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-cyano-dicyanoplatinate(II)-μ-cyano]","Acta Crystallographica Section E","2006","62","8","m1895","m1897","10.1107/S1600536806027541","","","0.71073","MoKα","","0.0653","0.0517","","","0.1279","0.1395","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209965","16.978","0.0013","10.7099","0.0008","18.617","0.0014","90","","90","","90","","3385.2","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris(dimethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^N,O,O')europium(III) dihydrate","","- C27 H37 Eu N6 O14 -","- C27 H37 Eu N6 O14 -","- C108 H148 Eu4 N24 O56 -","4","0.5","OB2036","Bing Jia; Xiang-Gao Meng; Shao-Min Shi; Zong-Qiu Hu; Fei-Hua Luo","Tris(dimethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')europate(III) dihydrate","Acta Crystallographica Section E","2006","62","8","m1799","m1801","10.1107/S1600536806025700","","","0.71073","MoKα","","0.0435","0.031","","","0.0694","0.0734","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2210146","15.005","0.004","9.591","0.003","12.505","0.003","90","","90","","90","","1799.6","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaqua(ethylenediamine)(N,N,N',N'-tetramethylethylenediamine)nickel(II) dichloride dihydrate","","- C8 H32 Cl2 N4 Ni O4 -","- C8 H32 Cl2 N4 Ni O4 -","- C32 H128 Cl8 N16 Ni4 O16 -","4","0.5","CI2103","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Diaqua(ethylenediamine)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","9","m2287","m2289","10.1107/S1600536806032909","","","0.71073","MoKα","","0.0485","0.0375","","","0.0983","0.1123","","","","","","1.086","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210221","13.444","0.007","8.377","0.004","22.512","0.013","90","","90","","90","","2535","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate","","- C18 H30 Hg N4 O14 -","- C18 H30 Hg N4 O14 -","- C72 H120 Hg4 N16 O56 -","4","0.5","FI2005","Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Sheshmani, Shabnam","Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate","Acta Crystallographica Section E","2006","62","9","m2269","m2271","10.1107/S1600536806032211","","","0.71073","MoKα","","0.0443","0.024","","","0.0553","0.0617","","","","","","0.971","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210292","13.553","0.003","8.4219","0.0019","22.215","0.005","90","","90","","90","","2535.7","1","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate","","- C18 H30 Mn N4 O14 -","- C18 H30 Mn N4 O14 -","- C72 H120 Mn4 N16 O56 -","4","0.5","HK2106","Aghabozorg, Hossein; Ghasemikhah, Pouya; Soleimannejad, Janet; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate","Acta Crystallographica Section E","2006","62","9","m2266","m2268","10.1107/S1600536806032521","","","0.71073","MoKα","","0.0643","0.0404","","","0.1162","0.1305","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210427","15.4137","0.0011","8.7799","0.0006","22.0554","0.0015","90","","90","","90","","2984.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(2-oxidophenyl)-1H-benzimidazole-κ^2^N^3^,O]zinc(II) dimethylformamide disolvate","","- C32 H32 N6 O4 Zn -","- C32 H32 N6 O4 Zn -","- C128 H128 N24 O16 Zn4 -","4","0.5","XU2069","Ya-Hui Zhao; Zhong-Min Su; Yong Wang; Xiang-Rong Hao; Kui-Zhan Shao","Bis[2-(2-oxidophenyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^,<i>O</i>]zinc(II) dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","9","m2361","m2362","10.1107/S1600536806028601","","","0.71073","MoKα","","0.047","0.029","","","0.068","0.069","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210447","16.178","0.003","8.9156","0.0017","31.928","0.006","90","","90","","90","","4605.2","1.5","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diisothiocyanate[3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^] tetracosa-1(23),8,10,12(24),19,21-hexaene]cadmium(II)","","- C20 H22 Cd N4 O4 S2 -","- C20 H22 Cd N4 O4 S2 -","- C160 H176 Cd8 N32 O32 S16 -","8","1","XU2106","Cheng-Juan Li; Hui Wang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","Diisothiocyanato[3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene]cadmium(II)","Acta Crystallographica Section E","2006","62","9","m2136","m2137","10.1107/S1600536806030856","","","0.71073","MoKα","","0.107","0.045","","","0.106","0.136","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210509","13.378","0.001","7.8668","0.0006","24.931","0.002","90","","90","","90","","2623.8","0.4","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methyl-3-methylsulfinyl-5-phenyl-1-benzofuran","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C128 H112 O16 S8 -","8","1","BI2066","Choi, Hong Dae; Seo, Pil Ja; Lee, Hee Kyung; Son, Byeng Wha; Lee, Uk","2-Methyl-3-methylsulfinyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2006","62","10","o4480","o4481","10.1107/S1600536806036270","","","0.71073","MoKα","","0.0404","0.0352","","","0.0956","0.1006","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210548","15.533","0.003","10.822","0.002","16.003","0.003","90","","90","","90","","2690.1","0.9","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate","","- C30 H30 N2 O5 Zn -","- C30 H30 N2 O5 Zn -","- C120 H120 N8 O20 Zn4 -","4","0.5","CI2168","Xu, Hua-Jie; Liu, Zhao-Di; Sheng, Liang-Quan","<i>trans</i>-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2695","m2697","10.1107/S1600536806037718","","","0.71073","MoKα","","0.0963","0.0539","","","0.142","0.1611","","","","","","0.919","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210649","12.041","0.001","11.436","0.001","18.908","0.002","90","","90","","90","","2603.6","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}cobalt(III) nitrate","","- C22 H28 Co N7 O9 -","- C22 H28 Co N7 O9 -","- C88 H112 Co4 N28 O36 -","4","0.5","HG2103","Hong-Wei Lin; Zhen-Feng Chen","Bis{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}cobalt(III) nitrate","Acta Crystallographica Section E","2006","62","10","m2512","m2514","10.1107/S1600536806035446","","","0.71073","MoKα","","0.0681","0.0458","","","0.1167","0.1304","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210681","27.6765","0.0016","10.6137","0.0006","11.682","0.0007","90","","90","","90","","3431.6","0.3","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O'}manganese(IV) hemihydrate","","- C18 H19 Mn N2 O4.5 -","- C18 H19 Mn N2 O4.5 -","- C144 H152 Mn8 N16 O36 -","8","1","JH2035","Shu-Zhong Zhan; Ying-Jun Zhang; Jian-Ge Wang","Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(IV) hemihydrate","Acta Crystallographica Section E","2006","62","10","m2713","m2714","10.1107/S1600536806038268","","","0.71073","MoKα","","0.0378","0.0299","","","0.0841","0.0904","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210783","14.777","0.003","9.316","0.004","19.224","0.005","90","","90","","90","","2646.4","1.4","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","chlorpropamide","4-chloro-N-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","SJ2115","Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva","A new polymorph of chlorpropamide: 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","10","o4393","o4395","10.1107/S1600536806035628","","","0.71073","MoKα","","0.1957","0.089","","","0.175","0.2229","","","","","","1.113","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211129","27.665","0.002","8.651","0.0014","9.9345","0.0015","90","","90","","90","","2377.6","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[diaquasamarium(III)]-μ~3~-biphenyl-4,4'-dicarboxylato- μ~3~-4'-carboxylbiphenyl-4-carboxylato]","","- C28 H21 O10 Sm -","- C28 H21 O10 Sm -","- C112 H84 O40 Sm4 -","4","0.5","NG2106","Bin Yu; Wang, Xiao-Qing; Kou, Hui-Zhong; Shen, Guang-Qiu; Shen, De-Zhong","Poly[[diaquasamarium(III)]-μ~3~-(biphenyl-4,4'-dicarboxylato)-μ~3~-(4'-carboxylbiphenyl-4-carboxylato)]","Acta Crystallographica Section E","2006","62","11","m3078","m3079","10.1107/S1600536806043340","","","0.71073","MoKα","","0.0438","0.0341","","","0.0776","0.0828","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211143","19.899","0.0017","9.1119","0.0008","12.2503","0.001","90","","90","","90","","2221.2","0.3","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[bis{N-(2-pyridylmethyl)imidazole-κN}(μ-sulfato- κ^2^O,O')diaquacobalt(II)]","","- C18 H22 Co N6 O6 S -","- C18 H22 Co N6 O6 S -","- C72 H88 Co4 N24 O24 S4 -","4","0.5","OB2072","Tian-Jun Lou; Yong-Fang Li; Yong Zhu","<i>catena</i>-Poly[bis{<i>N</i>-(2-pyridylmethyl)imidazole-κ<i>N</i>}(μ-sulfato-κ^2^<i>O</i>,<i>O</i>')diaquacobalt(II)]","Acta Crystallographica Section E","2006","62","11","m2832","m2834","10.1107/S1600536806040050","","","0.71073","MoKα","","0.0315","0.0252","","","0.0645","0.0692","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211189","8.4127","0.0018","11.366","0.002","9.859","0.002","90","","90","","90","","942.7","0.3","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Aquabis(glyoximato-κ^2^N,N')nitrocobalt(III)","","- C4 H8 Co N5 O7 -","- C4 H8 Co N5 O7 -","- C16 H32 Co4 N20 O28 -","4","0.5","SG2064","Rubin-Preminger, Janice M.; Englert, Ulli","<i>trans</i>-Aquabis(glyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III)","Acta Crystallographica Section E","2006","62","11","m2972","m2973","10.1107/S1600536806042152","","","0.71073","MoKα","","0.0439","0.038","","","0.0846","0.0887","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211331","15.402","0.003","11.022","0.002","15.585","0.003","90","","90","","90","","2645.7","0.9","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate","","- C30 H30 Co N2 O5 -","- C30 H30 Co N2 O5 -","- C120 H120 Co4 N8 O20 -","4","0.5","CI2205","Liu, Zhao-Di","<i>trans</i>-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3203","m3204","10.1107/S1600536806045697","","","0.71073","MoKα","","0.0681","0.0539","","","0.1625","0.1702","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211451","11.4235","0.0006","11.8071","0.0006","12.6502","0.0006","90","","90","","90","","1706.24","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Diethylether‒trichloroborane","Diethylether‒trichloroborane","","- C4 H10 B Cl3 O -","- C4 H10 B Cl3 O -","- C32 H80 B8 Cl24 O8 -","8","1","HJ3021","Weinmann, Markus; Nuss, Jürgen; Jansen, Martin","Diethyl ether‒trichloroborane, (C~2~H~5~)~2~O‒BCl~3~","Acta Crystallographica Section E","2006","62","12","o5590","o5591","10.1107/S1600536806047118","","","0.71073","MoKα","","0.0343","0.0329","","","0.0766","0.0772","","","","","","1.329","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211506","17.039","0.005","18.642","0.008","13.69","0.004","90","","90","","90","","4349","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyl 2,5-Bis[(E)-thiophen-2-ylmethyleneamino]thiophene-3,4-dicarboxylate","","- C20 H18 N2 O4 S3 -","- C20 H18 N2 O4 S3 -","- C160 H144 N16 O32 S24 -","8","1","LH2231","Dufresne, Stéphane; Bourgeaux, Marie; Skene, W. G.","Diethyl 2,5-bis[(<i>E</i>)-thiophen-2-ylmethyleneamino]thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5602","o5604","10.1107/S1600536806046915","","","1.54178","CuKα","","0.1042","0.0426","","","0.0971","0.1137","","","","","","0.728","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211793","7.8099","0.0011","19.18","0.003","13.4279","0.0018","90","","90","","90","","2011.4","0.5","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~- pyridine-2,6-dicarboxylato-κ^5^O:O,N,O':O')]","","- C16 H16 Cd2 N2 O11 -","- C16 H16 Cd2 N2 O11 -","- C64 H64 Cd8 N8 O44 -","4","0.5","DN2103","Wu, Hui-Fang; Chen, Xu-Dong; Du, Miao","A one-dimensional Cd^II^ coordination polymer: poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~-pyridine-2,6-dicarboxylato-κ^5^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')]","Acta Crystallographica Section E","2007","63","1","m126","m128","10.1107/S1600536806052354","","","0.71073","MoKα","","0.0246","0.0187","","","0.046","0.0479","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211877","7.284","0.001","9.131","0.002","25.199","0.005","90","","90","","90","","1676","0.5","299","2","299","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(2-methylquinolin-8-olato-κ^2^N,O)zinc(II)","","- C20 H18 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","LH2214","Silva, Luiz Everson da; Joussef, Antonio Carlos; Rebelo, Ricardo Andrade; Foro, Sabine; Schmidt, Boris","Aquabis(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section E","2007","63","1","m129","m131","10.1107/S1600536806045818","","","1.5418","CuKα","","0.186","0.0621","","","0.1168","0.1536","","","","","","0.926","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211888","15.324","0.007","7.936","0.004","10.079","0.005","90","","90","","90","","1225.7","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(N,N'-dimethylformamide)manganese(II)]-di-μ~2~-oxalato]","","- C8 H14 Mn N2 O6 -","- C8 H14 Mn N2 O6 -","- C32 H56 Mn4 N8 O24 -","4","0.5","LH2261","Ya-Nan Chan; Hong-Kun Zhao; Xiu-Guang Wang; Xiao-Jun Zhao","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide)manganese(II)]-di-μ~2~-oxalato]","Acta Crystallographica Section E","2007","63","1","m70","m72","10.1107/S1600536806051609","","","0.71073","MoKα","","0.0375","0.0262","","","0.0714","0.0765","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212011","11.868","0.003","14.931","0.003","17.741","0.004","90","","90","","90","","3143.7","1.2","90","1","","","","","","","","","","6","P b c n","-P 2n 2ab","60","copper(II) octacyanomolybdate(IV) tetrahydrate","poly[triaquaocta-μ-cyano-dicopper(II)molybdate(IV) monohydrate]","","- C8 H8 Cu2 Mo N8 O4 -","- C8 Cu2 Mo N8 O4 -","- C64 Cu16 Mo8 N64 O32 -","8","1","BC3026","Zhang, Yue; Hozumi, Toshiya; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi","Poly[triaquaocta-μ-cyano-dicopper(II)molybdate(IV) monohydrate]","Acta Crystallographica Section E","2007","63","2","i30","i32","10.1107/S1600536806056194","","","0.71075","MoKα","","","0.0366","","","","0.0987","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212015","22.582","0.005","12.222","0.002","6.9793","0.0014","90","","90","","90","","1926.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6-Amino-2-naphthoic acid monohydrate","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C88 H88 N8 O24 -","8","1","BH2066","Liu, Xiao-Gang; Chen, Tao","6-Amino-2-naphthoic acid monohydrate","Acta Crystallographica Section E","2007","63","2","o597","o598","10.1107/S1600536807000116","","","0.71073","MoKα","","0.0722","0.0512","","","0.1319","0.1411","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212179","22.4368","0.0011","7.1515","0.0004","28.9753","0.0019","90","","90","","90","","4649.3","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","di-μ-aqua-κ^4^O^1^:O^1'^-bis(μ-2,5-dianilinoterephthalo- κ^2^O:O')bis[triaquacalcium(I)] tetrahydrate","","- C40 H52 Ca2 N4 O20 -","- C40 H52 Ca2 N4 O20 -","- C160 H208 Ca8 N16 O80 -","4","0.5","HB2239","Schmidt, Martin U.; Schmiermund, Torsten; Bolte, Michael","Calcium anilate hexahydrate","Acta Crystallographica Section E","2007","63","2","m360","m362","10.1107/S160053680605553X","","","0.71073","MoKα","","0.1212","0.0977","","","0.2624","0.2746","","","","","","1.136","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2212204","18.302","0.004","8.096","0.0016","24.553","0.005","90","","90","","90","","3638.1","1.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6,6'-Bis(2H-1,2,3-benzotriazol-2-yl)-4,4'-bis(2,4,4-trimethylpentan-2-yl)- 2,2'-methylenebiphenol","","- C41 H50 N6 O2 -","- C41 H50 N6 O2 -","- C164 H200 N24 O8 -","4","0.5","HB2269","Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Hai-Bo; Wu, Wen-Yuan; Yin, Jun","6,6'-Bis(2<i>H</i>-1,2,3-benzotriazol-2-yl)-4,4'-bis(2,4,4-trimethylpentan-2-yl)-2,2'-methylenebiphenol","Acta Crystallographica Section E","2007","63","2","o819","o820","10.1107/S1600536807002474","","","0.71073","MoKα","","0.1919","0.0896","","","0.1635","0.1974","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212576","10.1018","0.0001","10.1628","0.0001","29.4514","0.0004","90","","90","","90","","3023.56","0.06","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(benzylammonium) sulfate","","- C14 H20 N2 O4 S -","- C14 H20 N2 O4 S -","- C112 H160 N16 O32 S8 -","8","1","HB2294","Amini, Mostafa M.; Nasiri, Samira; Ng, Seik Weng","Bis(benzylammonium) sulfate","Acta Crystallographica Section E","2007","63","3","o1361","o1362","10.1107/S1600536807007465","","","0.71073","MoKα","","0.037","0.032","","","0.098","0.109","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212614","25.272","0.005","7.5122","0.0016","13.764","0.003","90","","90","","90","","2613.1","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate","","- C6 H15 N2 Ni O9.5 S -","- C6 H15 N2 Ni O9.5 S -","- C48 H120 N16 Ni8 O76 S8 -","8","1","IS2132","Jiao, Yan; Pan, Zhao-Rui; Fang, Zhi-Jie; Li, Yi-Zhi; Zheng, He-Gen","Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate","Acta Crystallographica Section E","2007","63","3","m761","m763","10.1107/S1600536807006149","","","0.71073","MoKα","","0.0425","0.0377","","","0.1085","0.1112","","","","","","0.997","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212939","24.8142","0.0006","10.1662","0.0002","9.4483","0.0002","90","","90","","90","","2383.49","0.09","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","N,N'-Bis(2-pyridylmethyl)ethane-1,2-diammonium dichloride hexadeuterodimethyl sulfoxide disolvate","","- C18 H20 Cl2 D12 N4 O2 S2 -","- C18 H20 Cl2 D12 N4 O2 S2 -","- C72 H80 Cl8 D48 N16 O8 S8 -","4","0.5","IS2153","Matiková-Maľarová, Miroslava; Marek Šebela; Trávníček, Zdeněk","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ethane-1,2-diammonium dichloride hexadeuterodimethyl sulfoxide disolvate","Acta Crystallographica Section E","2007","63","4","o1753","o1755","10.1107/S160053680701104X","","","0.71073","MoKα","","0.0298","0.0284","","","0.081","0.0822","","","","","","1.187","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213077","13.7847","0.0004","18.774","0.0005","29.8756","0.001","90","","90","","90","","7731.6","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,3-Dibromo-1-(2,4-dichlorophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)propan-1-one","","- C17 H13 Br2 Cl2 N O5 -","- C17 H13 Br2 Cl2 N O5 -","- C272 H208 Br32 Cl32 N16 O80 -","16","2","AT2245","Yathirajan, H. S.; Mayekar, Anil N.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","2,3-Dibromo-1-(2,4-dichlorophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)propan-1-one","Acta Crystallographica Section E","2007","63","5","o2196","o2197","10.1107/S160053680701450X","","","0.71073","MoKα","","0.0534","0.0392","","","0.0869","0.0926","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213132","13.153","0.003","10.078","0.002","17.489","0.004","90","","90","","90","","2318.3","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)cobalt(II)","","- C26 H16 Co N6 S2 -","- C26 H16 Co N6 S2 -","- C104 H64 Co4 N24 S8 -","4","0.5","BI2171","Gang-Qiang Yin","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2007","63","5","m1542","m1543","10.1107/S1600536807019988","","","0.71073","MoKα","","0.0429","0.0376","","","0.1063","0.1114","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213206","26.1766","0.0015","8.1726","0.0005","17.7838","0.001","90","","90","","90","","3804.5","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1'-Nitro-2'-(3-nitrophenyl)-2',3',5',6',7',7a'-hexahydroindan-2-spiro- 3'-1'H-pyrrolizine-1,3-dione","","- C21 H17 N3 O6 -","- C21 H17 N3 O6 -","- C168 H136 N24 O48 -","8","1","CI2320","C. Remya; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","1'-Nitro-2'-(3-nitrophenyl)-2',3',5',6',7',7a'-hexahydroindan-2-spiro-3'-1'<i>H</i>-pyrrolizine-1,3-dione","Acta Crystallographica Section E","2007","63","5","o2218","o2220","10.1107/S1600536807014286","","","0.71073","MoKα","","0.086","0.0597","","","0.1701","0.1945","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213367","33.1196","0.0004","8.926","0.0001","9.9158","0.0001","90","","90","","90","","2931.36","0.06","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2'-(5-Bromo-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C120 H96 Br8 N24 O16 S8 -","8","1","HB2389","Ali, Hapipah M.; Yusnita, Juahir; Ng, Seik Weng","2'-(5-Bromo-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","Acta Crystallographica Section E","2007","63","5","o2733","o2733","10.1107/S1600536807019927","","","0.71073","MoKα","","0.028","0.027","","","0.081","0.082","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213446","14.9634","0.0002","7.1821","0.0001","15.9359","0.0002","90","","90","","90","","1712.61","0.04","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","(E)-(1-Oxoindan-2-ylidene)acetic acid","","- C11 H8 O3 -","- C11 H8 O3 -","- C88 H64 O24 -","8","1","LH2345","Dufort, Marisa D.; Lalancette, Roger A.; Thompson, Hugh W.","(<i>E</i>)-(1-Oxoindan-2-ylidene)acetic acid: catemeric hydrogen bonding in an unsaturated γ-keto acid","Acta Crystallographica Section E","2007","63","5","o2084","o2086","10.1107/S1600536807013700","","","1.54178","CuKα","","0.034","0.033","","","0.089","0.091","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213483","8.7343","0.0003","17.8256","0.0007","25.0266","0.0009","90","","90","","90","","3896.5","0.2","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Tetrahydrofuran-κ<i>O</i>bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O,S</i>) chromium(II)","","- C28 H62 Cr O7 S2 Si2 -","- C28 H62 Cr O7 S2 Si2 -","- C112 H248 Cr4 O28 S8 Si8 -","4","0.5","NG2241","Ciborska, Anna; Baranowska, Katarzyna; Wojnowski, Wiesław","(Tetrahydrofuran-κ<i>O)</i>bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O,S</i>)chromium(II)","Acta Crystallographica Section E","2007","63","5","m1239","m1241","10.1107/S160053680701402X","","","0.71073","MoKα","","0.0554","0.0512","","","0.1136","0.1163","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213517","10.675","0.002","8.8373","0.0018","14.995","0.003","90","","90","","90","","1414.6","0.5","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-(p-Phenylenediimino)dipent-3-en-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","RK2007","Su, Qing; Wu, Qiao-Lin; Li, Guang-Hua; Gao, Wei; Mu, Ying","4,4'-(<i>p</i>-Phenylenediimino)dipent-3-en-2-one","Acta Crystallographica Section E","2007","63","5","o2052","o2053","10.1107/S1600536807013384","","","0.71073","MoKα","","0.0458","0.0374","","","0.096","0.1013","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213767","38.708","0.017","7.16","0.003","7.407","0.003","90","","90","","90","","2052.8","1.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl <i>N</i>-(4-chlorophenyl)-<i>N</i>'-cyanocarbamimidothioate","","- C9 H8 Cl N3 S -","- C9 H8 Cl N3 S -","- C72 H64 Cl8 N24 S8 -","8","1","FJ2024","Lu, Yin-Xiang","Methyl <i>N</i>-(4-chlorophenyl)-<i>N</i>'-cyanocarbamimidothioate","Acta Crystallographica Section E","2007","63","6","o3018","","10.1107/S1600536807024130","","","0.71073","MoKα","","0.0677","0.0578","","","0.1284","0.1315","","","","","","1.245","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214019","15.447","0.002","10.0122","0.0017","23.598","0.003","90","","90","","90","","3649.6","0.9","298","","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II) pyridine solvate","","- C40 H36 N6 O6 Zn -","- C40 H36 N6 O6 Zn -","- C160 H144 N24 O24 Zn4 -","4","0.5","AT2306","Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang","Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II) pyridine solvate","Acta Crystallographica Section E","2007","63","7","m1927","m1928","10.1107/S1600536807028917","","","0.71073","MoKα","","0.1036","0.0443","","","0.1036","0.1439","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214100","24.2968","0.0012","11.3273","0.0005","8.7396","0.0003","90","","90","","90","","2405.29","0.18","295","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N-(2,3-Dichlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","1","BT2404","B. Thimme Gowda; B. P. Sowmya; Miroslav Tokarčík; Jozef Kožíšek; Hartmut Fuess","<i>N</i>-(2,3-Dichlorophenyl)benzamide","Acta Crystallographica Section E","2007","63","7","o3326","o3326","10.1107/S1600536807030243","","","0.71073","MoKα","","","0.0365","","","","0.0933","","","","","","0.905","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214105","13.4833","0.0005","9.5244","0.0003","17.3385","0.0005","90","","90","","90","","2226.62","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diiodidobis(1,10-phenanthroline-κ^2^N,N')cadmium(II)","","- C24 H16 Cd I2 N4 -","- C24 H16 Cd I2 N4 -","- C96 H64 Cd4 I8 N16 -","4","0.5","BV2059","Ming-Lei Cao; Xin Fang; Hai-Yang Yu; Jun-Dong Wang","Diiodidobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section E","2007","63","7","m1951","m1951","10.1107/S1600536807029145","","","0.71069","MoKα","","0.0818","0.0455","","","0.1005","0.1436","","","","","","1.153","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214125","12.4517","0.0018","9.2937","0.0014","23.254","0.004","90","","90","","90","","2691","0.7","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis{2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenolato}cadmium(II) monohydrate","","- C22 H28 Br2 Cd Cl2 N4 O3 -","- C22 H28 Br2 Cd Cl2 N4 O3 -","- C88 H112 Br8 Cd4 Cl8 N16 O12 -","4","0.5","CI2399","Li-Zhong Li; Li-Hua Wang","Bis{2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenolato}cadmium(II) monohydrate","Acta Crystallographica Section E","2007","63","7","m2010","m2011","10.1107/S1600536807030826","","","0.71073","MoKα","","0.0664","0.0393","","","0.0764","0.0868","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214269","15.234","0.006","11.945","0.004","25.84","0.009","90","","90","","90","","4702","3","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato- κ^4^S:S']bis[tricarbonyliron(I)]","","- C23 H15 Fe2 N O6 S2 -","- C23 H15 Fe2 N O6 S2 -","- C184 H120 Fe16 N8 O48 S16 -","8","1","HY2063","Shang Gao; Xiao-Jun Peng","[μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato-κ^4^<i>S</i>:<i>S</i>']bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2007","63","7","m1997","m1997","10.1107/S1600536807025469","","","0.71073","MoKα","","0.0702","0.0369","","","0.0731","0.0849","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214284","5.0654","0.0002","18.8003","0.0017","8.1609","0.0004","90","","90","","90","","777.17","0.09","290","2","290","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Pyridinium-betaine of squaric acid","3,4-dioxo-2-(pyridinium-1-yl)cyclobut-1-enolate","","- C9 H5 N O3 -","- C9 H5 N O3 -","- C36 H20 N4 O12 -","4","0.5","IS2179","Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova","The pyridinium-betaine of squaric acid","Acta Crystallographica Section E","2007","63","7","o3259","o3259","10.1107/S1600536807028887","","","0.71073","MoKα","","0.1072","0.0534","","","0.1135","0.1335","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214521","12.1335","0.0004","7.7866","0.0002","10.4078","0.0003","90","","90","","90","","983.32","0.05","295","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diacetato(ethylenediamine)zinc(II)","","- C6 H14 N2 O4 Zn -","- C6 H14 N2 O4 Zn -","- C24 H56 N8 O16 Zn4 -","4","0.5","BM3031","Kim, Young-Inn; Lee, You-Soon; Seo, Hoe-Joo; Kang, Sung Kwon","Diacetato(ethylenediamine)zinc(II)","Acta Crystallographica Section E","2007","63","8","m2239","m2240","10.1107/S1600536807036616","","","0.71073","MoKα","","","0.0263","","","","0.0668","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214629","14.862","0.003","7.6402","0.0015","26.947","0.005","90","","90","","90","","3059.8","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Poly[[μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene]hexa-μ~2~- oxidonickel(II)divanadate(V)]","","- C12 H10 N2 Ni O6 V2 -","- C12 H10 N2 Ni O6 V2 -","- C96 H80 N16 Ni8 O48 V16 -","8","1","DN3050","Wang, Chong-Chen","Poly[[μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene]hexa-μ~2~-oxido-nickel(II)divanadate(V)]","Acta Crystallographica Section E","2007","63","8","m2233","m2233","10.1107/S1600536807034277","","","0.71073","MoKα","","0.0378","0.0317","","","0.0798","0.0831","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214658","11.891","0.0011","10.8909","0.0012","20.958","0.002","90","","90","","90","","2714.1","0.5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2-naphthyl benzenesulfonate","2-Napthyl benzenesulfonate","","- C16 H12 O3 S -","- C16 H12 O3 S -","- C128 H96 O24 S8 -","8","1","GG2026","Vembu, Nagarajan; Shafna, Karattu Chali; Sparkes, Hazel A.; Howard, Judith A. K.","2-Naphthyl benzenesulfonate","Acta Crystallographica Section E","2007","63","8","o3545","o3545","10.1107/S160053680703437X","","","0.71073","MoKα","","0.114","0.0474","","","0.1014","0.1272","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214850","21.9546","0.0011","6.9806","0.0004","22.6474","0.0011","90","","90","","90","","3470.9","0.3","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Acetonitrile(6,6'-dimethyl-2,2'-dipyridyl)silver(I) trifluoromethanesulfonate","","- C15 H15 Ag F3 N3 O3 S -","- C15 H15 Ag F3 N3 O3 S -","- C120 H120 Ag8 F24 N24 O24 S8 -","8","1","RZ2157","Klausmeyer, Kevin K.; Hung-Low, Fernando; Renz, Amanda","Acetonitrile(6,6'-dimethyl-2,2'-dipyridyl)silver(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2007","63","8","m2181","m2181","10.1107/S1600536807034617","","","0.71073","MoKα","","0.032","0.0253","","","0.0581","0.0621","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214972","10.4453","0.0009","22.2586","0.0019","9.966","0.0009","90","","90","","90","","2317.1","0.4","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaqua(benzoato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')nickel(II) nitrate dihydrate","","- C21 H25 N3 Ni O9 -","- C21 H25 N3 Ni O9 -","- C84 H100 N12 Ni4 O36 -","4","0.5","BH2128","Xuan, Xiao-Peng; Zhao, Pei-Zheng; Tang, Qing-Hu","Diaqua(benzoato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) nitrate dihydrate","Acta Crystallographica Section E","2007","63","9","m2405","m2405","10.1107/S1600536807040706","","","0.71073","MoKα","","0.0434","0.034","","","0.0903","0.0976","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215062","12.983","0.003","11.448","0.002","7.6035","0.0015","90","","90","","90","","1130.1","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ~2~-5-thioxo-1H-1,2,4-thiadiazole-3-thiolato-κ^2^S^3^:S^5^)zinc(II)]","","- C4 H2 N4 S6 Zn -","- C4 H2 N4 S6 Zn -","- C16 H8 N16 S24 Zn4 -","4","0.5","CI2441","Zhang, Xiu-Ling; An, Ning; Qiu, Yu-E.; Zhang, Cun-Lan; Wang, Yi-Chun","Poly[bis(μ~2~-5-thioxo-1<i>H</i>-1,2,4-thiadiazole-3-thiolato-κ^2^<i>S</i>^3^:<i>S</i>^5^)zinc(II)]","Acta Crystallographica Section E","2007","63","9","m2432","m2433","10.1107/S1600536807041797","","","0.71073","MoKα","","0.0211","0.0189","","","0.0459","0.0468","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215295","10.9244","0.0002","8.8066","0.0002","17.4316","0.0004","90","","90","","90","","1677.04","0.06","100","0.1","100","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,7-Bis(bromomethyl)-9,9'-diethylfluorene","","- C19 H20 Br2 -","- C19 H20 Br2 -","- C76 H80 Br8 -","4","0.5","WN2191","K. Chinnakali; R. Surendran; M. Pushparani; A. K. Mohanakrishnan; Hoong-Kun Fun","2,7-Bis(bromomethyl)-9,9'-diethylfluorene","Acta Crystallographica Section E","2007","63","9","o3826","o3826","10.1107/S1600536807040020","","","0.71073","MoKα","","0.0672","0.0417","","","0.1226","0.1397","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215339","54.05","0.003","7.353","0.001","6.483","0.0009","90","","90","","90","","2576.5","0.5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Methoxy-<i>N</i>-(3,4-methylenedioxybenzyl)aniline","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","AT2401","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Zhao, Cui","4-Methoxy-<i>N</i>-(3,4-methylenedioxybenzyl)aniline","Acta Crystallographica Section E","2007","63","10","o4100","o4100","10.1107/S1600536807045527","","","0.71073","MoKα","","0.1264","0.0938","","","0.1985","0.2144","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215355","19.873","0.0015","17.4039","0.0013","21.0008","0.0016","90","","90","","90","","7263.5","0.9","294","2","294","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","Bis[μ-bis(diphenylphosphino)amine-κ^2^<i>P</i>:<i>P</i>']bis[(1,10-\ phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoridoborate) dichloromethane solvate","","- C73 H58 B2 Cl2 Cu2 F8 N6 P4 -","- C73 H58 B2 Cl2 Cu2 F8 N6 P4 -","- C292 H232 B8 Cl8 Cu8 F32 N24 P16 -","4","0.5","BI2209","Juan Mo; Heng-Yu Qian; Xiang-Dang Du; Wen Chen","Bis[μ-bis(diphenylphosphino)amine-κ^2^<i>P</i>:<i>P</i>']bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoridoborate) dichloromethane solvate","Acta Crystallographica Section E","2007","63","10","m2449","m2449","10.1107/S1600536807037567","","","0.71073","MoKα","","0.0874","0.0489","","","0.1356","0.1945","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215518","14.1959","0.0009","12.7099","0.0007","12.5451","0.0006","90","","90","","90","","2263.5","0.2","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-2,2,6,6-tetramethylpiperidin-1-ium chloride monohydrate","","- C9 H23 Cl N2 O -","- C9 H23 Cl N2 O -","- C72 H184 Cl8 N16 O8 -","8","1","HB2551","Huang, Peng-Mian; Deng, Yi","4-Amino-2,2,6,6-tetramethylpiperidin-1-ium chloride monohydrate","Acta Crystallographica Section E","2007","63","10","o4170","o4170","10.1107/S1600536807046697","","","0.7107","MoKα","","0.0365","0.0359","","","0.085","0.0853","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215629","16.0658","0.0003","17.2662","0.0004","18.2153","0.0004","90","","90","","90","","5052.84","0.19","100","1","100","1","","","","","","","","2","P b c n","-P 2n 2ab","60","","1,4,10,19,25,41,55,60,67,69-Decakis(trifluoromethyl)- 1,4,10,19,25,41,55,60,67,69-decahydro(C~70~-D~5h~)[5,6]fullerene","","- C80 F30 -","- C80 F30 -","- C320 F120 -","4","0.5","OM2161","Shustova, Natalia B.; Peryshkov, Dimitry V.; Boltalina, Olga V.; Strauss, Steven H.","1,4,10,19,25,41,55,60,67,69-Decakis(trifluoromethyl)-1,4,10,19,25,41,55,60,67,69-decahydro(C~70~-<i>D</i>~5<i>h~</i>)[5,6]fullerene","Acta Crystallographica Section E","2007","63","10","o4073","o4073","10.1107/S1600536807043991","","","0.71073","MoKα","","0.1162","0.0531","","","0.1034","0.1244","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215708","21.0869","0.0006","14.8065","0.0004","24.565","0.0006","90","","90","","90","","7669.8","0.4","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(μ-N,2-di-3-pyridylisoindoline-1-imine-κ^2^N,N')bis[aqua(perchlorato-\ κO)cadmium(II)] bis(perchlorate) methanol disolvate","","- C74 H68 Cd2 Cl4 N16 O20 -","- C74 H68 Cd2 Cl4 N16 O20 -","- C296 H272 Cd8 Cl16 N64 O80 -","4","0.5","XU2328","Zhu, Li-Na; Gao, Shan; Ng, Seik Weng","Bis(μ-<i>N</i>,2-di-3-pyridylisoindoline-1-imine-κ^2^<i>N</i>,<i>N</i>')bis[aqua(perchlorato-κ<i>O</i>)cadmium(II)] bis(perchlorate) methanol disolvate","Acta Crystallographica Section E","2007","63","10","m2618","m2618","10.1107/S1600536807046272","","","0.71073","MoKα","","0.1093","0.0561","","","0.1431","0.1806","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215904","11.7776","0.0011","9.4779","0.0008","18.818","0.0018","90","","90","","90","","2100.6","0.3","93","2","93","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(4-Propoxyphenyl)acetamide","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","FJ2048","Slawin, Alexandra M. Z.; Harrison, William T. A.","<i>N</i>-(4-Propoxyphenyl)acetamide","Acta Crystallographica Section E","2007","63","11","o4280","o4280","10.1107/S1600536807048854","","","0.71073","MoKα","","0.0472","0.0425","","","0.1108","0.1147","","","","","","1.056","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2215952","23.844","0.005","7.0493","0.0014","9.2504","0.0019","90","","90","","90","","1554.8","0.6","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,3-Bis(2-pyridylaminomethyl)benzene","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","0.5","HB2587","Li-Na Zhu; Shan Gao; Li-Hua Huo","1,3-Bis(2-pyridylaminomethyl)benzene","Acta Crystallographica Section E","2007","63","11","o4399","o4399","10.1107/S1600536807051069","","","0.71073","MoKα","","0.096","0.0436","","","0.0963","0.1164","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216021","9.941","0.002","15.416","0.003","13.357","0.003","90","","90","","90","","2047","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaqua[N,N'-(o-phenylene)bis(pyridine-2-carboxamidato)- <i>κ</i>^4^<i>N</i>]manganese(III) perchlorate","","- C18 H16 Cl Mn N4 O8 -","- C18 H16 Cl Mn N4 O8 -","- C72 H64 Cl4 Mn4 N16 O32 -","4","0.5","IS2217","Zhang, Li-Fang","Diaqua[<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(pyridine-2-carboxamidato)-<i>{κ</i>}^4^<i>N</i>]manganese(III) perchlorate","Acta Crystallographica Section E","2007","63","11","m2760","m2760","10.1107/S1600536807050453","","","0.71073","MoKα","","0.0463","0.0344","","","0.0782","0.0812","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216051","14.359","0.001","16.809","0.001","16.78","0.001","90","","90","","90","","4050","0.4","293","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κN^3^]bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II) dihydrate","","- C40 H32 Cd N10 O8 -","- C40 H32 Cd N10 O8 -","- C160 H128 Cd4 N40 O32 -","4","0.5","LH2532","Meng, Fa-Yan; Zhang, Yi-Ming; Ng, Seik Weng","Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ<i>N</i>^3^]bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) dihydrate","Acta Crystallographica Section E","2007","63","11","m2752","m2752","10.1107/S1600536807050210","","","0.71073","MoKα","","0.0461","0.0354","","","0.1017","0.1114","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216100","10.369","0.009","9.809","0.006","12.792","0.008","90","","90","","90","","1301.1","1.6","293","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diiodidobis(thioacetamide-κS)cadmium(II)","","- C4 H10 Cd I2 N2 S2 -","- C4 H10 Cd I2 N2 S2 -","- C16 H40 Cd4 I8 N8 S8 -","4","0.5","RK2044","Ilia A. Zamilatskov; Evgeny A. Buravlev; Elena V. Savinkina; Natalya S. Roukk; Dmitry V. Albov","Diiodidobis(thioacetamide-κ<i>S</i>)cadmium(II)","Acta Crystallographica Section E","2007","63","11","m2669","m2669","10.1107/S1600536807044820","","","0.71073","MoKα","","","0.0292","","","","0.0546","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216104","18.9118","0.0008","6.937","0.0003","13.4509","0.0005","90","","90","","90","","1764.64","0.13","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","0.5","RK2050","G. Chakkaravarthi; A. Anthonysamy; S. Balasubramanian; V. Manivannan","4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol","Acta Crystallographica Section E","2007","63","11","o4475","o4475","10.1107/S1600536807052622","","","0.71073","MoKα","","0.0703","0.0485","","","0.1387","0.1573","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216116","19.6407","0.0019","12.969","0.0012","9.8195","0.0009","90","","90","","90","","2501.2","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')lead(II)]- di-μ-2-hydroxybenzoato-κ^3^O^1^,O^1'^:O^2^;κ^3^O^2^:O^1^,O^1'^]","","- C28 H22 N2 O6 Pb -","- C28 H22 N2 O6 Pb -","- C112 H88 N8 O24 Pb4 -","4","0.5","SJ2340","Xuan, Xiao-Peng; Zhao, Pei-Zheng","<i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-2-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^]","Acta Crystallographica Section E","2007","63","11","m2678","m2678","10.1107/S1600536807045941","","","0.71073","MoKα","","0.0316","0.0181","","","0.0392","0.0441","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216278","19.4117","0.0006","8.1486","0.0003","13.4528","0.0004","90","","90","","90","","2127.94","0.12","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,4-Diazoniabicyclo[2.2.2]octane bis(3-carboxypyridine-2-carboxylate) 2.17-hydrate","","- C20 H26.34 N4 O10.17 -","- C20 H22 N4 O10.342 -","- C80 H88 N16 O41.368 -","4","0.5","BT2562","P. G. Seethalakshmi; P. Ramadevi; S. Kumaresan; Harrison, William T. A.","1,4-Diazoniabicyclo[2.2.2]octane bis(3-carboxypyridine-2-carboxylate) 2.17-hydrate","Acta Crystallographica Section E","2007","63","12","o4837","o4837","10.1107/S1600536807059818","","","0.71073","MoKα","","0.0673","0.0506","","","0.1396","0.155","","","","","","1.033","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2216279","20.87","0.0019","17.1153","0.0016","7.3375","0.0007","90","","90","","90","","2620.9","0.4","293","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetraaqua(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato- κ^2^N^3^,O)cobalt(II) 2.5-hydrate","","- C5 H15 Co N2 O10.5 -","- C5 H15 Co N2 O10.5 -","- C40 H120 Co8 N16 O84 -","8","1","BT2564","B. Sridhar; K. Ravikumar","Tetraaqua(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II) 2.5-hydrate","Acta Crystallographica Section E","2007","63","12","m2887","m2888","10.1107/S1600536807054050","","","0.71073","MoKα","","0.0711","0.0625","","","0.1897","0.1993","","","","","","1.118","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2216293","16.445","0.003","9.5147","0.0017","21.856","0.004","90","","90","","90","","3419.8","1.1","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-N-(2,5-dimethylphenyl)- 2,2-dimethylcyclopropanecarboxamide","","- C17 H19 Cl F3 N O -","- C17 H19 Cl F3 N O -","- C136 H152 Cl8 F24 N8 O8 -","8","1","BT2582","Yan, Fan-Yong; Liu, Dong-Qing","(<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-<i>N</i>-(2,5-dimethylphenyl)-2,2-dimethylcyclopropanecarboxamide","Acta Crystallographica Section E","2007","63","12","o4637","o4637","10.1107/S1600536807055924","","","0.71073","MoKα","","0.1077","0.0565","","","0.1401","0.179","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216309","11.325","0.0019","8.3903","0.0018","12.6041","0.0017","90","","90","","90","","1197.6","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","S-Methyl-thiuronium sulfate","bis(S-methylthiuronium) sulfate","","- C4 H14 N4 O4 S3 -","- C4 H14 N4 O4 S3 -","- C16 H56 N16 O16 S12 -","4","0.5","BT2603","Harald Brand; Christopher Hubrich; Kurt Polborn; Axel Schulz; Alexander Villinger","Redetermination of bis(<i>S</i>-methylthiuronium) sulfate","Acta Crystallographica Section E","2007","63","12","o4733","o4733","10.1107/S1600536807058059","","","0.71073","MoKα","","0.035","0.033","","","0.0903","0.0918","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216319","9.3553","0.0008","11.087","0.004","22.188","0.0019","90","","90","","90","","2301.4","0.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","not relevant","Cyclohexylammonium hydrogensquarate hemihydrate","","- C10 H16 N O4.5 -","- C10 H16 N O4.5 -","- C80 H128 N8 O36 -","8","1","BT2617","Tsonko Kolev; Bojidarka Koleva; Rüdiger W. Seidel; Michael Spiteller; William S. Sheldrick","Cyclohexylammonium hydrogensquarate hemihydrate","Acta Crystallographica Section E","2007","63","12","o4852","o4852","10.1107/S1600536807059132","","","0.71073","MoKα","","0.0907","0.0512","","","0.1212","0.1415","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216397","30.6054","0.00012","10.1073","0.0004","8.1631","0.0003","90","","90","","90","","2525.16","0.14","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole","","- C30 H20 N2 O2 S2 -","- C30 H20 N2 O2 S2 -","- C120 H80 N8 O8 S8 -","4","0.5","CV2354","Jikun Li; Guofang He","4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole","Acta Crystallographica Section E","2007","63","12","o4783","o4783","10.1107/S1600536807058369","","","0.71073","MoKα","","0.1583","0.0525","","","0.0876","0.1079","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216512","14.8085","0.0011","20.5518","0.0016","12.7062","0.001","90","","90","","90","","3867","0.5","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,5-Bis(2,3,4,5-tetrafluorobenzoyl)-1,5-diazacyclooctane","","- C20 H14 F8 N2 O2 -","- C20 H14 F8 N2 O2 -","- C160 H112 F64 N16 O16 -","8","1","HB2666","Dong, Jie; Tian, Lai-Jin; Qu, Yuan","1,5-Bis(2,3,4,5-tetrafluorobenzoyl)-1,5-diazacyclooctane","Acta Crystallographica Section E","2007","63","12","o4850","o4850","10.1107/S1600536807060242","","","0.71073","MoKα","","0.0644","0.0485","","","0.1334","0.1464","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216632","11.371","0.01","8.255","0.008","17.779","0.016","90","","90","","90","","1669","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(pyridine-2-methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κN)cobalt(II)","","- C14 H14 Co N4 O2 S2 -","- C14 H14 Co N4 O2 S2 -","- C56 H56 Co4 N16 O8 S8 -","4","0.5","LH2553","Yu-Peng Pan; Da-Cheng Li; Da-Qi Wang","Bis(pyridine-2-methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2007","63","12","m3034","m3034","10.1107/S160053680705756X","","","0.71073","MoKα","","0.0773","0.0547","","","0.1477","0.1697","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216651","21.3211","0.0018","11.0697","0.001","9.2754","0.001","90","","90","","90","","2189.2","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[(4-Chlorophenyl)iminomethyl]phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","LW2045","Leela Sundararaman; Ramamurthi Kandasamy; Stoeckli-Evans, Helen; Vasuki Gopalsamy","[(4-Chlorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2007","63","12","o4805","o4805","10.1107/S1600536807059326","","","0.71073","MoKα","","0.0468","0.0356","","","0.0944","0.0986","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216880","21.656","0.006","7.839","0.002","19.114","0.005","90","","90","","90","","3244.8","1.5","293","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(μ-4-Bromo-2-{1-[2-(dimethylamino)ethylimino]ethyl}phenolato)bis[ethylzinc(II)]","","- C28 H42 Br2 N4 O2 Zn2 -","- C28 H42 Br2 N4 O2 Zn2 -","- C112 H168 Br8 N16 O8 Zn8 -","4","0.5","AT2521","Hung, Wen-Chou; Lai, Shu-Ling; Lin, Chu-Chieh","(μ-4-Bromo-2-{1-[2-(dimethylamino)ethylimino]ethyl}phenolato)bis[ethylzinc(II)]","Acta Crystallographica Section E","2008","64","1","m129","m130","10.1107/S1600536807065208","","","0.71073","MoKα","","0.0828","0.0397","","","0.0937","0.1068","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216915","15.153","0.004","8.006","0.002","10.403","0.003","90","","90","","90","","1262","0.6","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]- μ-oxalato]","","- C8 H14 Cd N2 O6 -","- C8 H14 Cd N2 O6 -","- C32 H56 Cd4 N8 O24 -","4","0.5","BI2270","Borel, Cédric; Langer, Vratislav; Arnehed, Johan; Leikvoll, Lisette; Ghazzali, Mohamed","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]-μ~2~-oxalato]","Acta Crystallographica Section E","2008","64","1","m185","m185","10.1107/S1600536807066147","","","0.71073","MoKα","","0.0402","0.0248","","","0.0652","0.0767","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216924","9.2695","0.0011","14.3052","0.0002","9.2715","0.0011","90","","90","","90","","1229.4","0.2","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","poly[aquadi-μ~3~-oxydiacetato-dicopper(II)]","","- C8 H10 Cu2 O11 -","- C8 H10 Cu2 O11 -","- C32 H40 Cu8 O44 -","4","0.5","BQ2052","Guo, Ming-Lin","Redetermination of poly[aquadi-μ~3~-oxydiacetato-dicopper(II)]","Acta Crystallographica Section E","2008","64","1","m147","m147","10.1107/S1600536807065725","","","0.71073","MoKα","","0.0422","0.0386","","","0.083","0.085","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217078","18.264","0.003","7.93","0.0009","16.471","0.002","90","","90","","90","","2385.6","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N'-[1-(2-Pyridyl)ethylidene]nicotinohydrazide","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C104 H96 N32 O8 -","8","1","HB2634","Feng Yi-Min; Tai Xi-Shi","<i>N</i>'-[1-(2-Pyridyl)ethylidene]nicotinohydrazide","Acta Crystallographica Section E","2008","64","1","o65","o65","10.1107/S1600536807056024","","","0.71073","MoKα","","0.0573","0.0379","","","0.0907","0.1059","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217159","8.9713","0.0004","19.6698","0.0009","10.1459","0.0005","90","","90","","90","","1790.38","0.14","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[[[tetraaquasamarium(III)]-di-μ-isoniconitinato-κ^4^O:O'] chloride]","","- C12 H16 Cl N2 O8 Sm -","- C12 H16 Cl N2 O8 Sm -","- C48 H64 Cl4 N8 O32 Sm4 -","4","0.5","LH2488","Wu, Ke-Jun; Cai, Li-Zhen; Xu, Gang; Zhou, Guo-Wei; Guo, Guo-Cong","<i>catena</i>-Poly[[[tetraaquasamarium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride]","Acta Crystallographica Section E","2008","64","1","m56","m56","10.1107/S1600536807058230","","","0.71073","MoKα","","0.0328","0.0259","","","0.0665","0.0721","","","","","","0.984","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217177","20.639","0.004","10.15","0.002","9.088","0.0018","90","","90","","90","","1903.8","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","α,α'-bis(acetyloxy)-4,6-dibromo-1,3-Benzenedimethanol diacetate","(4,6-Dibromo-m-phenylenedimethylidyne) tetraacetate","","- C16 H16 Br2 O8 -","- C16 H16 Br2 O8 -","- C64 H64 Br8 O32 -","4","0.5","LH2578","Guang-Liang Song; Shan Liu; Shui-Ping Deng; Yuan-Yuan Liu; Hong-Jun Zhu","(4,6-Dibromo-<i>m</i>-phenylenedimethylidyne) tetraacetate","Acta Crystallographica Section E","2008","64","1","o153","o153","10.1107/S1600536807063581","","","0.71073","MoKα","","0.1696","0.0672","","","0.1002","0.1301","","","","","","0.955","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217403","14.1429","0.0003","16.7005","0.0004","16.5588","0.0003","90","","90","","90","","3911.08","0.14","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diacetatobis[1,3-bis(benzimidazol-2-yl)benzene]zinc(II) dihydrate","","- C44 H38 N8 O6 Zn -","- C44 H38 N8 O6 Zn -","- C176 H152 N32 O24 Zn4 -","4","0.5","BG2142","Meng, Fa-Yan; Teng, Lei; Chen, Xue Mei; Zhao, Bi Lin; Jiao, Ping","Diacetatobis[1,3-bis(benzimidazol-2-yl)benzene]zinc(II) dihydrate","Acta Crystallographica Section E","2008","64","2","m319","m319","10.1107/S160053680706878X","","","0.71073","MoKα","","0.0307","0.027","","","0.0774","0.0796","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217461","36.141","0.0007","9.9372","0.0002","8.7598","0.0002","90","","90","","90","","3146","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato-κ^2^N',S]copper(II)","","- C34 H30 Cu N4 S4 -","- C34 H30 Cu N4 S4 -","- C136 H120 Cu4 N16 S16 -","4","0.5","CI2558","M. T. H. Tarafder; M. Toihidul Islam; M. A. A. A. A. Islam; Suchada Chantrapromma; Hoong-Kun Fun","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato-κ^2^<i>N</i>',<i>S</i>]copper(II)","Acta Crystallographica Section E","2008","64","2","m416","m417","10.1107/S1600536808002262","","","0.71073","MoKα","","0.0454","0.0336","","","0.0765","0.0825","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217710","17.234","0.002","9.0691","0.001","13.729","0.002","90","","90","","90","","2145.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(2,6-DMPH)2.CoBr4","Bis(2,6-dimethylpyridinium) tetrabromidocobaltate(II)","","- C14 H20 Br4 Co N2 -","- C14 H20 Br4 Co N2 -","- C56 H80 Br16 Co4 N8 -","4","0.5","AT2543","Ali, Basem Fares; Al-Far, Rawhi H.; Haddad, Salim F.","Bis(2,6-dimethylpyridinium) tetrabromidocobaltate(II)","Acta Crystallographica Section E","2008","64","3","m485","m486","10.1107/S160053680800439X","","","0.71073","MoKα","","0.1598","0.0546","","","0.0899","0.1168","","","","","","0.97","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217848","14.5863","0.0005","13.2196","0.0004","9.9779","0.0003","90","","90","","90","","1923.99","0.11","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","[C3mpyr][Cl]","1-Methyl-1-propylpyrrolidinium chloride","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C64 H144 Cl8 N8 -","8","1","ZL2101","Dean, Pamela M.; Pringle, Jennifer M.; MacFarlane, Douglas R.","1-Methyl-1-propylpyrrolidinium chloride","Acta Crystallographica Section E","2008","64","3","o637","","10.1107/S1600536808005229","","","0.71073","MoKα","","0.0353","0.0309","","","0.0761","0.0794","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217910","14.148","0.012","9.774","0.008","15.253","0.013","90","","90","","90","","2109","3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 Co N6 O2 -","- C22 H16 Co N6 O2 -","- C88 H64 Co4 N24 O8 -","4","0.5","FI2060","Jia, LI; Kong, Ling-Qian; Li, Da-Cheng","<i>cis</i>-Bis(2,2'-bipyridyl)dicyanatocobalt(II)","Acta Crystallographica Section E","2008","64","4","m582","","10.1107/S1600536808007617","","","0.71073","MoKα","","0.0861","0.0394","","","0.0702","0.0778","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2217927","12.6326","0.0014","9.3346","0.001","22.119","0.003","90","","90","","90","","2608.3","0.5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Hydroxy-N'-[1-(3-methylpyrazin-2-yl)ethylidene]benzohydrazide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C112 H112 N32 O16 -","8","1","HB2708","Xi-Shi, Tai; Yi-Min, Feng","2-Hydroxy-<i>N</i>'-[1-(3-methylpyrazin-2-yl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2008","64","4","o707","","10.1107/S1600536808006697","","","0.71073","MoKα","","0.1007","0.0442","","","0.1093","0.1558","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217973","36.0897","0.0004","9.931","0.0001","8.7633","0.0001","90","","90","","90","","3140.83","0.06","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato- κ^2^<i>N</i>',<i>S</i>]zinc(II)","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato- κ^2^<i>N</i>',<i>S</i>]zinc(II)","","- C34 H30 N4 S4 Zn -","- C34 H30 N4 S4 Zn -","- C136 H120 N16 S16 Zn4 -","4","0.5","NG2427","Fun, Hoong-Kun; Chantrapromma, Suchada; Tarafder, M. T. H.; Islam, M. Toihidul; Zakaria, C. M.; Islam, M. A. A. A. A.","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato-κ^2^<i>N</i>',<i>S</i>]zinc(II)","Acta Crystallographica Section E","2008","64","4","m518","m519","10.1107/S1600536808005643","","","0.71073","MoKα","","0.0353","0.028","","","0.0787","0.0914","","","","","","1.145","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218130","29.874","0.003","7.5153","0.0012","15.4456","0.0019","90","","90","","90","","3467.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-(Diethylamino)salicylaldehyde phenylsulfonylhydrazone","","- C17 H21 N3 O3 S -","- C17 H21 N3 O3 S -","- C136 H168 N24 O24 S8 -","8","1","HB2720","Tai, Xi-Shi; Feng, Yi-Min; Kong, Fan-Yuan","4-(Diethylamino)salicylaldehyde phenylsulfonylhydrazone","Acta Crystallographica Section E","2008","64","5","o865","","10.1107/S1600536808010118","","","0.71073","MoKα","","0.1054","0.0689","","","0.1507","0.175","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218192","25.475","0.002","10.162","0.0008","15.7","0.001","90","","90","","90","","4064.4","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{4-[(<i>Z</i>)-(4-fluorobenzylamino)phenylmethylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^N^4^,<i>O</i>}nickel(II)","","- C48 H38 F2 N6 Ni O2 -","- C48 H38 F2 N6 Ni O2 -","- C192 H152 F8 N24 Ni4 O8 -","4","0.5","LX2051","Zhang, Xin; Zhang, Guo-Ying; Chen, Dan; Song, Yu-Jing","Bis{4-[(<i>Z</i>)-(4-fluorobenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>N</i>^4^,<i>O</i>}nickel(II)","Acta Crystallographica Section E","2008","64","5","m642","","10.1107/S1600536808009197","","","0.71073","MoKα","","0.0756","0.0355","","","0.0706","0.0762","","","","","","1.421","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218293","15.0907","0.0017","7.7491","0.0009","26.709","0.003","90","","90","","90","","3123.3","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-pyridyl)thiourea","","- C14 H9 F6 N3 S -","- C14 H9 F6 N3 S -","- C112 H72 F48 N24 S8 -","8","1","ZL2103","Yue, Huadong; Wang, Yifeng; Xia, Aibao; Luo, Shuping; Xu, Danqian","1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-pyridyl)thiourea","Acta Crystallographica Section E","2008","64","5","o858","","10.1107/S1600536808009768","","","0.71073","MoKα","","0.0759","0.0578","","","0.139","0.1506","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218585","14.2157","0.0009","10.4608","0.0008","8.1817","0.0005","90","","90","","90","","1216.68","0.14","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-Di(p-aminophenyloxy)ethane","1,2-Bis(4-aminophenoxy)ethane","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","ZL2110","Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.","1,2-Bis(4-aminophenoxy)ethane","Acta Crystallographica Section E","2008","64","6","o1122","","10.1107/S1600536808014736","","","0.71073","MoKα","","0.0528","0.0482","","","0.1168","0.1186","","","","","","1.195","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218623","16.5965","0.0003","10.2476","0.0006","7.2626","0.0014","90","","90","","90","","1235.2","0.2","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,9-Dibromo-5,7-dihydrodibenzo[c,e]oxepine","","- C14 H10 Br2 O -","- C14 H10 Br2 O -","- C56 H40 Br8 O4 -","4","0.5","BV2098","Zhang, Hai-Quan; Bao-Li; Yang, Guang-Di; Ma, Yu-Guang","3,9-Dibromo-5,7-dihydrodibenzo[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section E","2008","64","7","o1304","","10.1107/S1600536808018175","","","0.71073","MoKα","","0.0413","0.0235","","","0.0409","0.0419","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218648","12.2525","0.0003","8.0521","0.0002","25.682","0.0006","90","","90","","90","","2533.74","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[tris(μ~4~-5-aminoisophthalato)diaquadilanthanum(III)]","","- C24 H19 La2 N3 O14 -","- C24 H19 La2 N3 O14 -","- C96 H76 La8 N12 O56 -","4","0.5","CI2610","Weng-Thim, Tham; Adnan, Rohana; Fun, Hoong-Kun; Jebas, Samuel Robinson","Poly[tris(μ~4~-5-aminoisophthalato)diaquadilanthanum(III)]","Acta Crystallographica Section E","2008","64","7","m971","m972","10.1107/S1600536808018849","","","0.71073","MoKα","","0.0294","0.0247","","","0.0652","0.0738","","","","","","1.162","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218880","13.039","0.0003","21.0436","0.0004","8.9968","0.0002","90","","90","","90","","2468.61","0.09","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Diisopropylanilinium chloride","","- C12 H20 Cl N -","- C12 H20 Cl N -","- C96 H160 Cl8 N8 -","8","1","BH2172","Samardjiev, Ivan; Samas, Brian","2,6-Diisopropylanilinium chloride","Acta Crystallographica Section E","2008","64","8","o1480","","10.1107/S160053680801790X","","","1.54178","CuKα","","0.0377","0.0369","","","0.1105","0.1119","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218945","27.4006","0.0006","11.494","0.0003","7.7886","0.0002","90","","90","","90","","2452.96","0.1","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-[(<i>E</i>)-2-Furylmethyleneamino]-3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C13 H10 N4 O S -","- C13 H10 N4 O S -","- C104 H80 N32 O8 S8 -","8","1","CI2631","Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V.; Patil, P. S.; Kalluraya, B.; Dharmaprakash, S. M.","4-[(<i>E</i>)-2-Furylmethyleneamino]-3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2008","64","8","o1528","o1529","10.1107/S1600536808021806","","","0.71073","MoKα","","0.0728","0.0433","","","0.1048","0.1252","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219202","31.122","0.002","7.1249","0.0005","7.9441","0.0005","90","","90","","90","","1761.5","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium benzenephosphonate","","- C6 H10 N O3 P -","- C6 H10 N O3 P -","- C48 H80 N8 O24 P8 -","8","1","XU2441","Lin, Zhen; Lei, Xiu-Qing; Bai, Sheng-Di; Ng, Seik Weng","Ammonium benzenephosphonate","Acta Crystallographica Section E","2008","64","8","o1607","","10.1107/S1600536808023143","","","0.71073","MoKα","","0.0676","0.0664","","","0.1725","0.1733","","","","","","1.27","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219283","15.189","0.005","19.163","0.006","18.917","0.006","90","","90","","90","","5506","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris[μ-2,2'-(azinodimethylidyne)diphenolato-κ^4^O,N:N',O']diiron(III) tetrahydrofuran tetrasolvate","","- C58 H62 Fe2 N6 O10 -","- C58 H62 Fe2 N6 O10 -","- C232 H248 Fe8 N24 O40 -","4","0.5","CF2210","Wang, Jinglin; Liu, Bin; Yang, Binsheng","Tris[μ-2,2'-(azinodimethylidyne)diphenolato-κ^4^<i>O</i>,<i>N</i>:<i>N</i>',<i>O</i>']diiron(III) tetrahydrofuran tetrasolvate","Acta Crystallographica Section E","2008","64","9","m1210","","10.1107/S1600536808027438","","","0.71073","MoKα","","0.1099","0.0825","","","0.2019","0.2219","","","","","","1.085","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219285","22.623","0.006","10.342","0.005","16.25","0.006","90","","90","","90","","3802","3","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","<i>cis</i>-Bis(butylamine-κN)bis[sulfadiazine(1-)-κ^2^N,N']copper(II) pentahydrate","<i>cis</i>-bis[4-amino-N-(pyrimidin-2- yl)benzenesulfonamidato-κ^2^N,N']bis(butylamine-κN)copper(II) pentahydrate}","","- C28 H50 Cu N10 O9 S2 -","- C28 H50 Cu N10 O9 S2 -","- C112 H200 Cu4 N40 O36 S8 -","4","0.5","CF2216","Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Heren, Zerrin; Büyükgüngör, Orhan","<i>cis</i>-Bis(butylamine-κ<i>N</i>)bis[sulfadiazine(1{-})-κ^2^<i>N</i>,<i>N</i>']copper(II) pentahydrate","Acta Crystallographica Section E","2008","64","9","m1192","","10.1107/S1600536808026457","","","0.71069","MoKα","","0.099","0.0476","","","0.1266","0.1409","","","","","","0.902","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2219338","13.931","0.002","9.1685","0.0016","14.364","0.003","90","","90","","90","","1834.7","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-κ^2^N,N')zinc(II)","","- C20 H16 N4 O5 Zn -","- C20 H16 N4 O5 Zn -","- C80 H64 N16 O20 Zn4 -","4","0.5","HB2736","Zhang, Shi Guo; Hou, Chao","Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2008","64","9","m1131","","10.1107/S1600536808024495","","","0.71073","MoKα","","0.04","0.0299","","","0.0767","0.0828","","","","","","1.049","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2219414","21.728","0.002","21.654","0.002","6.5713","0.0005","90","","90","","90","","3091.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,5-Dinitropyridin-4(1<i>H</i>)-one monohydrate","","- C5 H5 N3 O6 -","- C5 H5 N3 O6 -","- C80 H80 N48 O96 -","16","2","PK2110","Li, Ying; Li, Ping; Zhou, Qiu-Ping; Zhang, Guo-Fang; Ng, Seik Weng","3,5-Dinitropyridin-4(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2008","64","9","o1701","","10.1107/S1600536808024604","","","0.71073","MoKα","","0.0521","0.0402","","","0.1147","0.1232","","","","","","1.079","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219416","19.709","0.0015","8.0722","0.0006","16.339","0.0013","90","","90","","90","","2599.5","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II) dihydrate","","- C24 H22 N4 O8 S2 Zn -","- C24 H22 N4 O8 S2 Zn -","- C96 H88 N16 O32 S8 Zn4 -","4","0.5","PK2112","Cai, Cheng-Xiang; Ou-Yang, Miao; Zhao, Zhi-Yuan; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II) dihydrate","Acta Crystallographica Section E","2008","64","9","m1195","","10.1107/S1600536808026342","","","0.71073","MoKα","","0.032","0.0263","","","0.0696","0.074","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219496","12.236","0.0007","8.06","0.0005","25.67","0.0015","90","","90","","90","","2531.6","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[tris(μ~3~-5-aminoisophthalato)diaquadicerium(III)]","","- C24 H19 Ce2 N3 O14 -","- C24 H19 Ce2 N3 O14 -","- C96 H76 Ce8 N12 O56 -","4","0.5","BQ2095","Ma, Hui-Jie; Fan, Yu-Hua; Wang, Qiang; Bi, Cai-Feng; Zhang, Dong-Mei","Poly[tris(μ~3~-5-aminoisophthalato)diaquadicerium(III)]","Acta Crystallographica Section E","2008","64","10","m1326","","10.1107/S160053680803033X","","","0.71069","MoKα","","0.0226","0.0188","","","0.0435","0.0452","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219512","8.4023","0.0002","17.1528","0.0003","15.9612","0.0004","90","","90","","90","","2300.38","0.09","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaquatetrachloridotin(IV)‒diglyme (1/2)","","- C12 H32 Cl4 O8 Sn -","- C12 H32 Cl4 O8 Sn -","- C48 H128 Cl16 O32 Sn4 -","4","0.5","BT2792","Wardell, James L.; Harrison, William T. A.","Diaquatetrachloridotin(IV)‒diglyme (1/2)","Acta Crystallographica Section E","2008","64","10","m1297","","10.1107/S1600536808029917","","","0.71073","MoKα","","0.0277","0.0216","","","0.0474","0.0495","","","","","","1.042","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2219514","15.44","0.002","8.7022","0.0012","22.156","0.003","90","","90","","90","","2976.9","0.7","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato- κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II) dimethylformamide disolvate","","- C32 H32 Co N6 O4 -","- C32 H32 Co N6 O4 -","- C128 H128 Co4 N24 O16 -","4","0.5","BV2101","He, Feigang; Xi, Yun; Li, Jun; Zhang, Fengxing","Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II) dimethylformamide disolvate","Acta Crystallographica Section E","2008","64","10","m1311","","10.1107/S1600536808029620","","","0.71073","MoKα","","0.0643","0.0383","","","0.0957","0.1074","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219718","16.345","0.003","12.342","0.002","12.342","0.002","90","","90","","90","","2489.8","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Dichloridobis(1,10-phenanthroline)cobalt(II) dimethylformamide solvate","","- C27 H23 Cl2 Co N5 O -","- C27 H23 Cl2 Co N5 O -","- C108 H92 Cl8 Co4 N20 O4 -","4","0.5","SJ2538","Cai, Shuang-Lian; Ying, Shao-Ming; Li, Hui; Chen, Yun","<i>cis</i>-Dichloridobis(1,10-phenanthroline)cobalt(II) dimethylformamide solvate","Acta Crystallographica Section E","2008","64","10","m1328","m1329","10.1107/S1600536808030341","","","0.71073","MoKα","","0.0263","0.0258","","","0.0621","0.0626","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219817","7.2712","0.0015","26.91","0.005","34.207","0.007","90","","90","","90","","6693","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","μ-α-Methylglutarato-bis{aqua[bis(2-pyridylcarbonyl)aminato]copper(II)} trihydrate","","- C30 H34 Cu2 N6 O13 -","- C30 H34 Cu2 N6 O13 -","- C240 H272 Cu16 N48 O104 -","8","1","CS2084","Xie, Hong-Zhen; Pan, Wei-Juan; Xu, Wei; Lin, Jian-Li","μ-α-Methylglutarato-bis{aqua[bis(2-pyridylcarbonyl)aminato]copper(II)} trihydrate","Acta Crystallographica Section E","2008","64","11","m1471","m1472","10.1107/S1600536808034570","","","0.71073","MoKα","","0.0581","0.0393","","","0.1002","0.1082","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219940","12.725","0.005","10.752","0.005","15.733","0.005","90","","90","","90","","2152.6","1.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine-κ^2^N,N')(croconato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","","- C25 H16 N4 Ni O5 -","- C25 H16 N4 Ni O5 -","- C100 H64 N16 Ni4 O20 -","4","0.5","LX2071","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(croconato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2008","64","11","m1459","","10.1107/S1600536808033771","","","0.71069","MoKα","","0.0851","0.0443","","","0.0875","0.1019","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219962","20.255","0.004","7.8924","0.0017","16.475","0.003","90","","90","","90","","2633.7","0.9","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cadmium(II) dihydrate","","- C24 H22 Cd N4 O8 S2 -","- C24 H22 Cd N4 O8 S2 -","- C96 H88 Cd4 N16 O32 S8 -","4","0.5","PK2123","Ou-Yang, Miao; Huang, Xue-Ren; Zhang, Yun-Liang; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cadmium(II) dihydrate","Acta Crystallographica Section E","2008","64","11","m1461","","10.1107/S1600536808034387","","","0.71073","MoKα","","0.0655","0.0341","","","0.0648","0.0754","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219978","13.297","0.002","8.2906","0.0015","13.516","0.003","90","","90","","90","","1490","0.5","220","2","220","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibromidodimethyldipyridineplatinum(IV)","","- C12 H16 Br2 N2 Pt -","- C12 H16 Br2 N2 Pt -","- C48 H64 Br8 N8 Pt4 -","4","0.5","RZ2250","Kelly, Mairéad E.; Wagner, Christoph; Schmidt, Harry","Dibromidodimethyldipyridineplatinum(IV)","Acta Crystallographica Section E","2008","64","11","m1385","","10.1107/S160053680803208X","","","0.71073","MoKα","","0.0452","0.0366","","","0.0867","0.0906","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220027","23.319","0.003","9.0865","0.0012","13.728","0.0017","90","","90","","90","","2908.8","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-Methyl-7-phenylsulfonyloxy-2<i>H</i>-1-benzopyran-2-one","4-Methyl-2-oxo-2,3-dihydro-1-benzopyran-7-yl benzenesulfonate","","- C16 H12 O5 S -","- C16 H12 O5 S -","- C128 H96 O40 S8 -","8","1","XU2456","Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Liu, Yu-Fen","4-Methyl-2-oxo-2,3-dihydro-1-benzopyran-7-yl benzenesulfonate","Acta Crystallographica Section E","2008","64","11","o2088","","10.1107/S1600536808032005","","","0.71073","MoKα","","0.1157","0.0486","","","0.1145","0.1639","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220139","12.8401","0.0008","19.6133","0.0012","7.5853","0.0005","90","","90","","90","","1910.3","0.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{6,6'-Diethoxy-2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato}nickel(II) monohydrate","","- C20 H24 N2 Ni O5 -","- C20 H24 N2 Ni O5 -","- C80 H96 N8 Ni4 O20 -","4","0.5","CV2487","Xie, Hai","{6,6'-Diethoxy-2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2008","64","12","m1638","","10.1107/S1600536808039822","","","0.71073","MoKα","","0.0362","0.0271","","","0.066","0.0716","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220200","9.8989","0.0004","8.6785","0.0004","41.228","0.002","90","","90","","90","","3541.8","0.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(4-ferrocenylbenzoato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)cadmium(II)","","- C38 H42 Cd Fe2 O8 -","- C38 H42 Cd Fe2 O8 -","- C152 H168 Cd4 Fe8 O32 -","4","0.5","HB2852","Zhao, Hong-Ying; Song, Lian-Qing; Wang, Jing-Wu; Ng, Seik Weng","Bis(4-ferrocenylbenzoato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section E","2008","64","12","m1624","","10.1107/S160053680803907X","","","0.71073","MoKα","","0.0466","0.0303","","","0.0765","0.0864","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220294","8.2003","0.0016","16.234","0.003","13.708","0.003","90","","90","","90","","1824.9","0.6","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-2,6-dimethylpyridinium-3,5-dicarboxylato- <i>κ</i>^2^<i>O</i>^3^:<i>O</i>^5^)copper(II)]","","- C18 H16 Cu N2 O8 -","- C18 H16 Cu N2 O8 -","- C72 H64 Cu4 N8 O32 -","4","0.5","NG2511","Zhang, Hong-Kun; Du, Yu-Hong; Jiang, Tao; Li, Bai-Yan; Hou, Guang-Feng","Poly[bis(μ-2,6-dimethylpyridinium-3,5-dicarboxylato-<i>{κ</i>}^2^<i>O</i>^3^:<i>O</i>^5^)copper(II)]","Acta Crystallographica Section E","2008","64","12","m1510","","10.1107/S1600536808035873","","","0.71073","MoKα","","0.0414","0.0329","","","0.0876","0.0923","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220331","12.2605","0.0004","11.0133","0.0003","17.2745","0.0005","90","","90","","90","","2332.55","0.12","293","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C29 H16 N4 O5 Zn -","- C29 H16 N4 O5 Zn -","- C116 H64 N16 O20 Zn4 -","4","0.5","SG2254","Chen, Hongyu; Li, Ping; Dong, Lihua; Zhu, Xiaohui; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2008","64","12","m1507","m1508","10.1107/S1600536808033709","","","0.71073","MoKα","","0.0374","0.0289","","","0.081","0.096","","","","","","1.278","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220463","19.5069","0.0013","12.5245","0.0007","13.278","0.001","90","","90","","90","","3244","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,3-Bis(2-methoxyphenyl)tetrazolium-5-thiolate‒acetone‒dichloromethane (1/0.4/0.1)","","- C16.3 H16.6 Cl0.2 N4 O2.4 S -","- C16.3 H16.6 Cl0.2 N4 O2.4 S -","- C130.4 H132.8 Cl1.6 N32 O19.2 S8 -","8","1","CV2466","Eschwege, Karel G. von; Muller, Alfred","2,3-Bis(2-methoxyphenyl)tetrazolium-5-thiolate‒acetone‒dichloromethane (1/0.4/0.1)","Acta Crystallographica Section E","2009","65","1","o2","","10.1107/S1600536808039731","","","0.71073","MoKα","","","0.0592","","","","0.1692","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220519","22.663","0.005","10.081","0.002","9.6368","0.0019","90","","90","","90","","2201.7","0.8","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,3-Bis[4-(dimethylamino)benzyl]-4,5,6,7-tetrahydro-1<i>H</i>-1,3-diazepan-2-ium chloride","","- C23 H33 Cl N4 -","- C23 H33 Cl N4 -","- C92 H132 Cl4 N16 -","4","0.5","HG2445","Arslan, Hakan; VanDerveer, Don; Gök, Yetkin; Özdemir, İsmail; Çetinkaya, Bekir","1,3-Bis[4-(dimethylamino)benzyl]-4,5,6,7-tetrahydro-1<i>H</i>-1,3-diazepan-2-ium chloride","Acta Crystallographica Section E","2009","65","1","o109","o110","10.1107/S1600536808041603","","","0.71073","MoKα","","0.081","0.0592","","","0.1396","0.1597","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220567","7.767","0.0016","16.045","0.003","14.006","0.003","90","","90","","90","","1745.4","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato)zinc(II) monohydrate","","- C18 H18 N4 O6 Zn -","- C18 H18 N4 O6 Zn -","- C72 H72 N16 O24 Zn4 -","4","0.5","KP2191","Wei, Yu-Feng; Li, Zhong-Shu; Zhang, Huai-Hong; Wang, Yi-Hong","Aquabis(2-methyl-4-oxopyrido[1,2-<i>a</i>]pyrimidin-9-olato)zinc(II) monohydrate","Acta Crystallographica Section E","2009","65","1","m91","","10.1107/S1600536808039615","","","0.71073","MoKα","","0.073","0.0487","","","0.1165","0.1282","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220809","12.53","0.005","14.469","0.006","8.501","0.004","90","","90","","90","","1541.2","1.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(11,13-Dimethyl-1,4,7,10-tetraazacyclotrideca-10,13-dienato)copper(II) perchlorate","","- C11 H21 Cl Cu N4 O4 -","- C11 H21 Cl Cu N4 O4 -","- C44 H84 Cl4 Cu4 N16 O16 -","4","0.5","HG2468","He, Xiao-qiang","(11,13-Dimethyl-1,4,7,10-tetraazacyclotrideca-10,13-dienato)copper(II) perchlorate","Acta Crystallographica Section E","2009","65","2","m205","","10.1107/S1600536809001664","","","0.71073","MoKα","","0.0855","0.0666","","","0.1873","0.2156","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220812","24.3695","0.0011","7.9061","0.0003","17.4322","0.0006","90","","90","","90","","3358.6","0.2","295","2","295","3","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis(phenanthridinium) hexachloridoplatinate(IV) dimethyl sulfoxide disolvate","","- C30 H32 Cl6 N2 O2 Pt S2 -","- C30 H32 Cl6 N2 O2 Pt S2 -","- C120 H128 Cl24 N8 O8 Pt4 S8 -","4","0.5","HG2472","Karaca, Selvi; Akkurt, Mehmet; Safari, Nasser; Amani, Vahid; Büyükgüngör, Orhan; Abedi, Anita","Bis(phenanthridinium) hexachloridoplatinate(IV) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2009","65","2","m235","","10.1107/S1600536809002736","","","0.71073","MoKα","","0.0557","0.0449","","","0.0912","0.0959","","","","","","1.118","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220874","6.5913","0.001","7.29","0.0009","26.759","0.004","90","","90","","90","","1285.8","0.3","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[diaqua-μ~4~-biphenyl-4,4'-dicarboxylato-magnesium(II)]","","- C7 H6 Mg0.5 O3 -","- C7 H6 Mg0.5 O3 -","- C56 H48 Mg4 O24 -","8","1","NC2132","Liu, Hsin-Kuan; Peng, Xiang-Wen; Lin, Chia-Her","Poly[diaqua-μ~4~-biphenyl-4,4'-dicarboxylato-magnesium(II)]","Acta Crystallographica Section E","2009","65","2","m237","","10.1107/S1600536809002864","","","0.71073","MoKα","","0.0781","0.0408","","","0.0895","0.1059","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220876","19.0092","0.0005","9.0077","0.0002","17.7294","0.0005","90","","90","","90","","3035.79","0.14","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","7-(2,2-Dimethylpropanamido)-2-methyl-1,8-naphthyridin-1-ium chloride monohydrate","","- C14 H20 Cl N3 O2 -","- C14 H20 Cl N3 O2 -","- C112 H160 Cl8 N24 O16 -","8","1","NG2528","Fun, Hoong-Kun; Kia, Reza; Das, Nirmal Kumar; Sen, Debabrata; Goswami, Shyamaprosad","7-(2,2-Dimethylpropanamido)-2-methyl-1,8-naphthyridin-1-ium chloride monohydrate","Acta Crystallographica Section E","2009","65","2","o340","","10.1107/S1600536808042955","","","0.71073","MoKα","","0.0569","0.0402","","","0.0939","0.1022","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221069","5.548","0.0011","23.801","0.005","8.025","0.0016","90","","90","","90","","1059.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>N</i>-phenylphthalimide","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","0.5","GK2189","Izotova, L. Yu.; Ashurov, J. M.; Ibragimov, B. T.; Weber, E.","A new polymorph of <i>N</i>-phenylphthalimide","Acta Crystallographica Section E","2009","65","3","o658","","10.1107/S1600536809006746","","","0.71073","MoKα","","0.1157","0.0668","","","0.1141","0.1374","","","","","","1.171","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221158","12.7355","0.0014","8.8506","0.0012","26.334","0.002","90","","90","","90","","2968.3","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Ethoxyimino-<i>N</i>'-methoxypyrrolidin-1-ium-3-carboximidamidium dichloride","","- C8 H18 Cl2 N4 O2 -","- C8 H18 Cl2 N4 O2 -","- C64 H144 Cl16 N32 O16 -","8","1","PK2146","Guo, Qiang; Sun, Lanying; Guo, Huiyuan; Liu, Mingliang","4-Ethoxyimino-<i>N</i>'-methoxypyrrolidin-1-ium-3-carboximidamidium dichloride","Acta Crystallographica Section E","2009","65","3","o580","","10.1107/S1600536809004772","","","0.71073","MoKα","","0.0921","0.0773","","","0.203","0.2102","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2221226","21.7617","0.0005","8.4992","0.0002","15.2115","0.0003","90","","90","","90","","2813.47","0.11","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,3-Ethylenedithio-3,3a,4,5,10,10b-hexahydro-2<i>H</i>- furo[2,3-<i>a</i>]carbazole","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C128 H136 N8 O8 S16 -","8","1","XU2478","Uludağ, Nesimi; Öztürk, Aslı; Hökelek, Tuncer; Erdoğan, Ümit Işık","3,3-Ethylenedithio-3,3a,4,5,10,10b-hexahydro-2<i>H</i>-furo[2,3-<i>a</i>]carbazole","Acta Crystallographica Section E","2009","65","3","o595","o596","10.1107/S1600536809006035","","","0.71073","MoKα","","0.1458","0.0412","","","0.0782","0.1083","","","","","","0.978","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221358","13.041","0.003","8.744","0.0017","12.975","0.003","90","","90","","90","","1479.5","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrasodium (dihydrogenheptaoxidodigermanato)bis(dihydrogentetraoxidogermanato)dicopper(II) monohydrate","","- Cu2 Ge4 H8 Na4 O16 -","- Cu2 Ge4 H8 Na4 O16 -","- Cu8 Ge16 H32 Na16 O64 -","4","0.5","HB2913","Li, Ya-Feng; Li, Dan-Ping; Shi, Cui-Li; Hu, Yong-Sheng; Jin, Li","Tetrasodium (dihydrogenheptaoxidodigermanato)bis(dihydrogentetraoxidogermanato)dicopper(II) monohydrate","Acta Crystallographica Section E","2009","65","4","i27","","10.1107/S1600536809007715","","","0.71073","MoKα","","0.053","0.0405","","","0.1096","0.118","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221364","18.136","0.0003","7.3355","0.0001","14.5986","0.0003","90","","90","","90","","1942.15","0.06","118","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-Nitrophenyl pyrimidin-2-yl ether","","- C10 H7 N3 O3 -","- C10 H7 N3 O3 -","- C80 H56 N24 O24 -","8","1","HB2922","Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng","3-Nitrophenyl pyrimidin-2-yl ether","Acta Crystallographica Section E","2009","65","4","o704","","10.1107/S1600536809007697","","","0.71073","MoKα","","0.0454","0.0372","","","0.0953","0.1021","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221466","12.6512","0.0016","19.986","0.003","7.8708","0.001","90","","90","","90","","1990.1","0.5","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}zinc(II) monohydrate","","- C20 H24 N2 O5 Zn -","- C20 H24 N2 O5 Zn -","- C80 H96 N8 O20 Zn4 -","4","0.5","PK2159","Shen, Yong-Miao; Wang, Wei","{6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}zinc(II) monohydrate","Acta Crystallographica Section E","2009","65","4","m444","","10.1107/S1600536809010344","","","0.71073","MoKα","","0.0485","0.0339","","","0.0938","0.1013","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221584","17.237","0.002","9.0754","0.0017","13.7302","0.0014","90","","90","","90","","2147.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[2,6-DMepyrH].ZnBr4","Bis(2,6-dimethylpyridinium) tetrabromidozincate(II)","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C56 H80 Br16 N8 Zn4 -","4","0.5","AT2771","Ali, Basem Fares; Al-Far, Rawhi","Bis(2,6-dimethylpyridinium) tetrabromidozincate(II)","Acta Crystallographica Section E","2009","65","5","m581","m582","10.1107/S1600536809015219","","","0.71073","MoKα","","0.2589","0.0878","","","0.1293","0.1772","","","","","","0.982","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221629","12.8706","0.0004","16.113","0.0004","11.8546","0.0003","90","","90","","90","","2458.45","0.12","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate","","- C26 H30 N2 Ni O6 -","- C26 H30 N2 Ni O6 -","- C104 H120 N8 Ni4 O24 -","4","0.5","CS2114","Kargar, Hadi; Kia, Reza; Jamshidvand, Arezoo; Fun, Hoong-Kun","{6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate","Acta Crystallographica Section E","2009","65","5","m498","m499","10.1107/S1600536809012641","","","0.71073","MoKα","","0.0967","0.0461","","","0.101","0.1219","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222100","17.074","0.002","9.8366","0.0015","16.316","0.002","90","","90","","90","","2740.3","0.6","90","0.5","90","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>N</i>,<i>N</i>'-(Phenyliminodimethylene)diprop-2-enamide hemihydrate","","- C14 H18 N3 O2.5 -","- C14 H18 N3 O2.5 -","- C112 H144 N24 O20 -","8","1","LH2820","Tamilvendan, Dhanapal; Venkatesa Prabhu, Ganesan; Fronczek, Frank R.; Vembu, Nagarajan","<i>N</i>,<i>N</i>'-(Phenyliminodimethylene)diprop-2-enamide hemihydrate","Acta Crystallographica Section E","2009","65","6","o1343","","10.1107/S1600536809017784","","","0.71073","MoKα","","0.0651","0.0448","","","0.1087","0.1195","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222140","14.691","0.003","7.7968","0.0017","17.983","0.004","90","","90","","90","","2059.8","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(5,6-dicarboxybenzimidazolium) sulfate monohydrate","","- C18 H16 N4 O13 S -","- C18 H16 N4 O13 S -","- C72 H64 N16 O52 S4 -","4","0.5","SI2172","Cui, Yue; Gao, Qian; Zhang, Chao-Yan; Xie, Ya-Bo","Bis(5,6-dicarboxybenzimidazolium) sulfate monohydrate","Acta Crystallographica Section E","2009","65","6","o1335","","10.1107/S1600536809018182","","","0.71073","MoKα","","0.0583","0.0483","","","0.1268","0.1377","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222296","23.697","0.006","13.682","0.006","25.402","0.011","90","","90","","90","","8236","5","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","25,26,27,28-Tetrabutoxy-5,11,17,23-tetra-<i>tert</i>-butylcalix[4]arene chloroform tetrasolvate dihydrate","","- C64 H96 Cl12 O6 -","- C64 H96 Cl12 O6 -","- C256 H384 Cl48 O24 -","4","0.5","EZ2170","Li, Zhengyi; Yuan, Dinghao; Xi, Haitao; Sun, Xiaoqiang","25,26,27,28-Tetrabutoxy-5,11,17,23-tetra-<i>tert</i>-butylcalix[4]arene chloroform tetrasolvate dihydrate","Acta Crystallographica Section E","2009","65","7","o1697","","10.1107/S160053680902217X","","","0.71073","MoKα","","0.0874","0.0525","","","0.1109","0.1165","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222735","23.5705","0.0007","11.3547","0.0004","9.1848","0.0003","90","","90","","90","","2458.18","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(2-Aminophenyl)[(5<i>S</i>)-5-hydroxy-3,5-dimethyl-4,5-dihydro-1<i>H</i>-\ pyrazol-1-yl]methanone","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C96 H120 N24 O16 -","8","1","HK2735","Arfan, Mohammad; Tahir, M. Nawaz; Khan, Rasool; Saba, Sumbal; Iqbal, Mohammad S.","(2-Aminophenyl)[(5<i>S</i>)-5-hydroxy-3,5-dimethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]methanone","Acta Crystallographica Section E","2009","65","8","o1834","o1835","10.1107/S1600536809026294","","","0.71073","MoKα","","0.0596","0.0442","","","0.1157","0.1259","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222927","23.0936","0.0006","8.489","0.0002","14.0582","0.0003","90","","90","","90","","2755.99","0.11","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Chlorido{4-chloro-2-[(2-morpholinoethyl)iminomethyl]phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","","- C13 H16 Cl2 Cu N2 O2 -","- C13 H16 Cl2 Cu N2 O2 -","- C104 H128 Cl16 Cu8 N16 O16 -","8","1","XU2547","Ikmal Hisham, Nurul Azimah; Mohd Ali, Hapipah; Ng, Seik Weng","Chlorido{4-chloro-2-[(2-morpholinoethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","Acta Crystallographica Section E","2009","65","8","m870","","10.1107/S1600536809025215","","","0.71073","MoKα","","0.0655","0.0424","","","0.0989","0.1128","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222949","9.175","0.0018","14.722","0.003","20.657","0.004","90","","90","","90","","2790.2","1","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[μ-5-(2-pyridyl)tetrazolato]-κ^3^N^1^,N^5^:N^2^;κ^3^N^2^:N^1^,N^5^- bis[triaquazinc(II)] bis(trifluoroacetate) monohydrate","","- C16 H22 F6 N10 O11 Zn2 -","- C16 H22 F6 N10 O11 Zn2 -","- C64 H88 F24 N40 O44 Zn8 -","4","0.5","ZL2226","Zhang, Li","Bis[μ-5-(2-pyridyl)tetrazolato]-κ^3^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>N</i>^5^-bis[triaquazinc(II)] bis(trifluoroacetate) monohydrate","Acta Crystallographica Section E","2009","65","8","m871","m872","10.1107/S1600536809025112","","","0.71073","MoKα","","0.06","0.0405","","","0.0827","0.0893","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222970","20.041","0.01","7.918","0.004","16.409","0.008","90","","90","","90","","2604","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-\ κ^3^<i>N</i>,<i>N</i>',<i>O</i>]manganese(II) dihydrate","","- C24 H22 Mn N4 O8 S2 -","- C24 H22 Mn N4 O8 S2 -","- C96 H88 Mn4 N16 O32 S8 -","4","0.5","BH2236","Zhao, Cheng-Qiang; Ou-Yang, Miao; Huang, Xue-Ren; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]manganese(II) dihydrate","Acta Crystallographica Section E","2009","65","9","m1055","m1056","10.1107/S1600536809030670","","","0.71073","MoKα","","0.0392","0.0315","","","0.0844","0.0915","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223085","12.3755","0.0015","9.2485","0.0015","22.827","0.003","90","","90","","90","","2612.7","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{2-[2-(dimethylamino)ethyliminomethyl]-4,6-disulfanylphenolato}cobalt(II) monohydrate","","- C22 H32 Co N4 O3 S4 -","- C22 H32 Co N4 O3 S4 -","- C88 H128 Co4 N16 O12 S16 -","4","0.5","HB5056","Cai, Ying-Jie; Li, Jin; Huang, Peng; Zeng, Qing-Fu","Bis{2-[2-(dimethylamino)ethyliminomethyl]-4,6-disulfanylphenolato}cobalt(II) monohydrate","Acta Crystallographica Section E","2009","65","9","m1146","","10.1107/S1600536809033650","","","0.71073","MoKα","","0.0659","0.0544","","","0.1722","0.1859","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223139","8.836","0.002","9.71","0.002","18.621","0.004","90","","90","","90","","1597.6","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4,4'-Diformyltriphenylamine","4,4'-(Phenylimino)dibenzaldehyde","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","0.5","JH2093","Wang, Yong-Gang; Tan, Xue-Jie; Xing, Dian-Xiang","4,4'-(Phenylimino)dibenzaldehyde","Acta Crystallographica Section E","2009","65","9","o2192","","10.1107/S1600536809031924","","","0.71073","MoKα","","0.0832","0.0643","","","0.1741","0.1871","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223188","17.077","0.0003","8.535","0.0005","16.67","0.0004","90","","90","","90","","2429.69","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')nickel(II) monohydrate","","- C24 H26 N10 Ni O -","- C24 H24 N10 Ni O -","- C96 H96 N40 Ni4 O4 -","4","0.5","RN2055","Phatchimkun, Jaturong; Kongsaeree, Palangpon; Suchaichit, Nattawut; Chaichit, Narongsak","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2009","65","9","m1020","m1021","10.1107/S1600536809029407","","","0.71073","MoKα","","0.0678","0.0429","","","0.1128","0.1274","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223271","23.534","0.002","9.3318","0.0008","10.5047","0.0009","90","","90","","90","","2307","0.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Nitroaniline‒picric acid (2/1)","","- C9 H6 N4 O8 -","- C9 H6 N4 O8 -","- C72 H48 N32 O64 -","8","1","BG2290","Li, Yan-jun","4-Nitroaniline‒picric acid (2/1)","Acta Crystallographica Section E","2009","65","10","o2566","","10.1107/S1600536809037416","","","0.71073","Mokα","","0.06","0.0464","","","0.1266","0.1362","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223599","10.6325","0.0015","10.8713","0.0015","7.56","0.0005","90","","90","","90","","873.85","0.18","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","bis(2-thienyl)acetylene","Bis(2-thienyl)acetylene","","- C10 H6 S2 -","- C10 H6 S2 -","- C40 H24 S8 -","4","0.5","ZS2008","Harcourt, Emily M.; Lynch, Daniel E.; Hamilton, Darren G.","Bis(2-thienyl)acetylene","Acta Crystallographica Section E","2009","65","10","o2484","","10.1107/S1600536809036812","","","0.71073","MoKα","","0.1587","0.0731","","","0.1189","0.1731","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223970","13.1622","0.0011","10.6184","0.0009","16.0671","0.0013","90","","90","","90","","2245.6","0.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>,<i>E</i>)-4,4'-Dichloro-2,2'-[azinobis(phenylmethylidyne)]diphenol","","- C26 H18 Cl2 N2 O2 -","- C26 H18 Cl2 N2 O2 -","- C104 H72 Cl8 N8 O8 -","4","0.5","PK2195","Chang, Jian-Guo","(<i>E</i>,<i>E</i>)-4,4'-Dichloro-2,2'-[azinobis(phenylmethylidyne)]diphenol","Acta Crystallographica Section E","2009","65","11","o2767","","10.1107/S1600536809041427","","","0.71073","MoKα","","0.0632","0.0449","","","0.1401","0.1634","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224086","19.636","0.002","8.0973","0.0008","16.2819","0.0016","90","","90","","90","","2588.8","0.4","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(II) dihydrate","","- C24 H22 Co N4 O8 S2 -","- C24 H22 Co N4 O8 S2 -","- C96 H88 Co4 N16 O32 S8 -","4","0.5","XU2642","Huang, Xue-Ren; Ou-Yang, Miao; Yang, Ge-Ge; Meng, Xiu-Jin; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(II) dihydrate","Acta Crystallographica Section E","2009","65","11","m1465","","10.1107/S1600536809043918","","","0.71073","MoKα","","0.0429","0.0317","","","0.0816","0.0885","","","","","","1.023","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224107","19.6157","0.0011","9.1034","0.0005","13.3808","0.0007","90","","90","","90","","2389.4","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>N</i>-(4-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","","- C11 H17 N O2 S -","- C11 H17 N O2 S -","- C88 H136 N8 O16 S8 -","8","1","ZS2015","Datta, Mrityunjoy; Buglass, Alan J.; Elsegood, Mark R. J.","<i>N</i>-(4-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2009","65","11","o2823","","10.1107/S1600536809042548","","","0.71073","MoKα","","0.047","0.0385","","","0.1018","0.1075","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224115","18.74","0.004","11.669","0.002","8.0529","0.0016","90","","90","","90","","1761","0.6","290","2","290","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[diaquastrontium]-bis(μ-2-bromobenzoato)-\ κ^2^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C14 H12 Br2 O6 Sr -","- C14 H12 Br2 O6 Sr -","- C56 H48 Br8 O24 Sr4 -","4","0.5","BH2255","Zhang, Bi-Song","<i>catena</i>-Poly[[diaquastrontium]-bis(μ-2-bromobenzoato)-κ^2^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","Acta Crystallographica Section E","2009","65","12","m1500","","10.1107/S1600536809045395","","","0.71073","MoKα","","0.053","0.0423","","","0.1084","0.1303","","","","","","1.138","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224496","11.586","0.002","12.575","0.003","32.749","0.007","90","","90","","90","","4771.3","1.7","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Methyl-1,3-bis(3,4-methylenedioxybenzyl)-2-(3,4- methylenedioxyphenyl)imidazolidine","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C216 H208 N16 O48 -","8","1","XU2638","Yang, Shu-Ping; Han, Li-Jun; Wen, Ai-Ping; Wang, Da-Qi","4-Methyl-1,3-bis(3,4-methylenedioxybenzyl)-2-(3,4-methylenedioxyphenyl)imidazolidine","Acta Crystallographica Section E","2009","65","12","o3049","","10.1107/S1600536809046662","","","0.71073","MoKα","","0.0904","0.0658","","","0.1966","0.215","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224971","27.8428","0.0013","10.452","0.002","6.642","0.006","90","","90","","90","","1932.9","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(μ~5~-2-methyl-3,5-dinitrobenzoato)sodium]","","- C8 H5 N2 Na O6 -","- C8 H5 N2 Na O6 -","- C64 H40 N16 Na8 O48 -","8","1","HB5280","Danish, Muhammad; Saleem, Iram; Ahmad, Nazir; Raza, Abdul Rauf; Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~5~-2-methyl-3,5-dinitrobenzoato)sodium]","Acta Crystallographica Section E","2010","66","2","m137","","10.1107/S1600536810000498","","","0.71073","MoKα","","0.1147","0.0366","","","0.104","0.1324","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224999","19.61","0.005","14.322","0.004","19.958","0.005","90","","90","","90","","5605","3","98","2","98","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[μ-1,3-Bis(diphenylphosphino)propane- κ^2^<i>P</i>:<i>P</i>']bis[bromidogold(I)]","","- C27 H26 Au2 Br2 P2 -","- C27 H26 Au2 Br2 P2 -","- C216 H208 Au16 Br16 P16 -","8","1","HG2623","Mohr, Fabian; Molter, Anja; Tiekink, Edward R. T.","[μ-1,3-Bis(diphenylphosphino)propane-κ^2^<i>P</i>:<i>P</i>']bis[bromidogold(I)]","Acta Crystallographica Section E","2010","66","2","m167","","10.1107/S1600536810001406","","","0.7107","MoKα","","0.062","0.058","","","0.136","0.139","","","","","","1.23","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225158","14.992","0.001","10.4661","0.0008","16.008","0.001","90","","90","","90","","2511.8","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(4-Fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C15 H11 F O2 S -","- C15 H11 F O2 S -","- C120 H88 F8 O16 S8 -","8","1","BG2329","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2010","66","3","o564","","10.1107/S1600536810004411","","","0.71073","MoKα","","0.0501","0.0351","","","0.089","0.1007","","","","","","1.099","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225501","18.8797","0.001","9.2067","0.0005","14.5694","0.0008","90","","90","","90","","2532.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')diphenyltin(IV)","","- C22 H30 N2 S4 Sn -","- C22 H30 N2 S4 Sn -","- C88 H120 N8 S16 Sn4 -","4","0.5","CI5039","Muthalib, Amirah Faizah; Baba, Ibrahim; Farina, Yang; Ng, Seik Weng","Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')diphenyltin(IV)","Acta Crystallographica Section E","2010","66","4","m354","","10.1107/S1600536810007415","","","0.71073","MoKα","","0.0344","0.0257","","","0.078","0.0885","","","","","","1.101","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225581","13.6786","0.0005","10.4938","0.0004","25.2618","0.001","90","","90","","90","","3626.1","0.2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{6-[(2-Anilinoethyl)iminomethyl]-2-ethoxyphenolato}(thiocyanato- κ<i>N</i>)copper(II)","","- C18 H19 Cu N3 O2 S -","- C18 H19 Cu N3 O2 S -","- C144 H152 Cu8 N24 O16 S8 -","8","1","HB5365","Wang, Chen-Yi; Li, Jing-Fen; Cao, Feng","{6-[(2-Anilinoethyl)iminomethyl]-2-ethoxyphenolato}(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2010","66","4","m445","m446","10.1107/S1600536810010305","","","0.71073","MoKα","","0.1084","0.055","","","0.151","0.1818","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225870","8.9646","0.0018","10.628","0.002","22.366","0.004","90","","90","","90","","2130.9","0.7","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(cyclopropyliminomethyl)-5-methoxyphenolato]zinc(II)","","- C22 H24 N2 O4 Zn -","- C22 H24 N2 O4 Zn -","- C88 H96 N8 O16 Zn4 -","4","0.5","HB5404","Bai, Li-Ming","Bis[2-(cyclopropyliminomethyl)-5-methoxyphenolato]zinc(II)","Acta Crystallographica Section E","2010","66","5","m531","","10.1107/S1600536810013541","","","0.71073","MoKα","","0.0789","0.0415","","","0.1076","0.1263","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226168","13.2317","0.0008","9.7095","0.0006","16.7265","0.001","90","","90","","90","","2148.9","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(isocyanato-κ<i>N</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C26 H16 Co N6 O2 -","- C26 H16 Co N6 O2 -","- C104 H64 Co4 N24 O8 -","4","0.5","HY2302","Zhang, Dao-Peng; Tian, Nai-Chang; Zhang, Xiao-Mei","Bis(isocyanato-κ<i>N</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2010","66","6","m614","","10.1107/S1600536810015758","","","0.71073","MoKα","","0.0524","0.0444","","","0.1333","0.1441","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226269","10.574","0.001","16.269","0.002","16.859","0.002","90","","90","","90","","2900.2","0.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>N</i>-(2-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C112 H112 Cl8 N8 O16 S8 -","8","1","RZ2441","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut","<i>N</i>-(2-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1282","","10.1107/S1600536810015916","","","0.71073","MoKα","","0.0502","0.0374","","","0.0945","0.1016","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226311","12.303","0.002","10.4477","0.0017","25.247","0.004","90","","90","","90","","3245.2","0.9","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","3-{2-[2-(2-Fluorobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}- 2<i>H</i>-chromen-2-one","","- C19 H12 F N3 O2 S -","- C19 H12 F N3 O2 S -","- C152 H96 F8 N24 O16 S8 -","8","1","TK2674","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Quah, Ching Kheng; Fun, Hoong-Kun","3-{2-[2-(2-Fluorobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2010","66","6","o1446","o1447","10.1107/S1600536810018647","","","0.71073","MoKα","","0.0766","0.0435","","","0.0874","0.1021","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226366","10.5639","0.0008","16.279","0.001","16.693","0.001","90","","90","","90","","2870.7","0.3","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,4-Dichloro-<i>N</i>-(2-chlorophenyl)benzenesulfonamide","","- C12 H8 Cl3 N O2 S -","- C12 H8 Cl3 N O2 S -","- C96 H64 Cl24 N8 O16 S8 -","8","1","BQ2220","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut","2,4-Dichloro-<i>N</i>-(2-chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","7","o1641","","10.1107/S1600536810021306","","","0.71073","MoKα","","0.0676","0.0416","","","0.096","0.107","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226683","11.9675","0.0013","12.9579","0.0013","21.28","0.002","90","","90","","90","","3300","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3<i>H</i>)-one","","- C17 H15 F3 N4 O2 -","- C17 H15 F3 N4 O2 -","- C136 H120 F24 N32 O16 -","8","1","SJ5026","Cai, Zhao-Hui; Chen, Xiao-Bao; Yang, Xu-Hong; Wang, Xiang","3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2010","66","7","o1854","o1855","10.1107/S1600536810024645","","","0.71073","MoKα","","0.0725","0.0613","","","0.1558","0.1644","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226737","14.9369","0.0004","10.6284","0.0003","16.1532","0.0004","90","","90","","90","","2564.41","0.12","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-Fluoro-3-(4-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C15 H10 F2 O2 S -","- C15 H10 F2 O2 S -","- C120 H80 F16 O16 S8 -","8","1","XU2777","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Fluoro-3-(4-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2010","66","7","o1637","","10.1107/S1600536810021823","","","0.71073","MoKα","","0.0366","0.0314","","","0.087","0.091","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226766","13.2159","0.0003","10.1426","0.0002","17.4783","0.0003","90","","90","","90","","2342.85","0.08","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)magnesium(II)","","- C26 H16 Mg N6 S2 -","- C26 H16 Mg N6 S2 -","- C104 H64 Mg4 N24 S8 -","4","0.5","BH2298","Zhao, Dan; Li, Fei-Fei; Sha, Jiao","<i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)magnesium(II)","Acta Crystallographica Section E","2010","66","8","m988","","10.1107/S1600536810027054","","","0.71073","MoKα","","0.052","0.0358","","","0.0888","0.0982","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227014","22.692","0.002","5.546","0.0005","13.7099","0.0013","90","","90","","90","","1725.4","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-[4-(2,6-Dimethoxyphenyl)butyl]-1,3-dimethoxybenzene","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","0.5","NG2784","Kane, Christopher M.; Drake, Stephen D.; Holman, K. Travis","2-[4-(2,6-Dimethoxyphenyl)butyl]-1,3-dimethoxybenzene","Acta Crystallographica Section E","2010","66","8","o1921","","10.1107/S1600536810025420","","","0.71073","MoKα","","0.039","0.0349","","","0.0957","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227034","12.571","0.003","14.665","0.003","10.877","0.004","90","","90","","90","","2005.2","1","300","1","300","1","101","2","","","","","","4","P b c n","-P 2n 2ab","60","","5,11-Diisopropyl-2,8-dimethyl-1<i>H</i>,7<i>H</i>- diimidazo[c,h][1,6]diazecine dihydrate","","- C18 H34 N6 O2 -","- C18 H34 N6 O2 -","- C72 H136 N24 O8 -","4","0.5","PB2033","Mendoza-Díaz, Guillermo; Betancourt-Mendiola, María de Lourdes; Bernès, Sylvain","5,11-Diisopropyl-2,8-dimethyl-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine dihydrate","Acta Crystallographica Section E","2010","66","8","o1958","o1959","10.1107/S1600536810025808","","","0.71073","MoKα","","0.0905","0.0556","","","0.1345","0.1565","","","","","","1.72","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227160","11.4759","0.0012","8.398","0.001","17.9451","0.0018","90","","90","","90","","1729.5","0.3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[(2-Pyridyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato- κ<i>N</i>)manganese(II)","","- C14 H14 Mn N4 O2 S2 -","- C14 H14 Mn N4 O2 S2 -","- C56 H56 Mn4 N16 O8 S8 -","4","0.5","BG2365","Gao, Qihe; Bao, Qianqian; Rong, Rong","[(2-Pyridyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2010","66","10","m1203","","10.1107/S1600536810034483","","","0.71073","MoKα","","0.0681","0.0542","","","0.1281","0.1347","","","","","","1.348","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227193","8.9866","0.0006","5.4894","0.0011","14.903","0.0018","90","","90","","90","","735.18","0.18","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","calcium tin aluminum oxide","dicalcium nonaoxydistanate(IV) dialuminate","","- Al2 Ca2 O9 Sn2 -","- Al2 Ca2 O9 Sn2 -","- Al8 Ca8 O36 Sn8 -","4","0.5","BR2147","Yamane, Hisanori; Abe, Shunsuke; Tu, Rong; Goto, Takashi","A ramsayite-type oxide, Ca~2~Sn~2~Al~2~O~9~","Acta Crystallographica Section E","2010","66","10","i72","","10.1107/S1600536810036445","","","0.71075","MoKα","","0.0193","0.0178","","","0.0425","0.0431","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227363","30.449","0.006","8.2759","0.0017","9.7353","0.0019","90","","90","","90","","2453.2","0.8","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Bis(4,5-diphenyl-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl)methane","4,4',5,5'-Tetraphenyl-3,3'-[methylidenebis(sulfanediyl)]bis(4<i>H</i>- 1,2,4-triazole)","","- C29 H22 N6 S2 -","- C29 H22 N6 S2 -","- C116 H88 N24 S8 -","4","0.5","CV2773","Zhao, Bing; Liu, Zhuo; Gao, Yan; Song, Bo; Deng, Qi-gang","4,4',5,5'-Tetraphenyl-3,3'-[methylidenebis(sulfanediyl)]bis(4<i>H</i>-1,2,4-triazole)","Acta Crystallographica Section E","2010","66","11","o2814","","10.1107/S1600536810040729","","","0.71073","MoKα","","0.0449","0.0399","","","0.1197","0.1252","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227427","9.6146","0.0019","12.792","0.003","31.275","0.006","90","","90","","90","","3846.5","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1<i>H</i>-pyrazole-κ<i>N</i>^3^)bis(2,4,6-triisopropylbenzoato- κ<i>O</i>)cobalt(II)","","- C38 H54 Co N4 O4 -","- C38 H54 Co N4 O4 -","- C152 H216 Co4 N16 O16 -","4","0.5","FJ2344","Hrib, Cristian G.; Blaurock, Steffen; Edelmann, Frank T.","Bis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(2,4,6-triisopropylbenzoato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2010","66","11","m1387","","10.1107/S1600536810039553","","","0.71073","MoKα","","0.1257","0.0666","","","0.1418","0.1725","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227472","23.374","0.002","10.1929","0.0012","7.3336","0.0006","90","","90","","90","","1747.2","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[(2-aminophenyl)methanol-κ^2^<i>O</i>,<i>N</i>]bis(nitrato- κ<i>O</i>)manganese(II)","","- C14 H18 Mn N4 O8 -","- C14 H18 Mn N4 O8 -","- C56 H72 Mn4 N16 O32 -","4","0.5","HB5561","Esmhosseini, Majid; Maleki, Shahrzad","Bis[(2-aminophenyl)methanol-κ^2^<i>O</i>,<i>N</i>]bis(nitrato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2010","66","9","m1052","","10.1107/S1600536810030114","","","0.71073","MoKα","","0.0523","0.038","","","0.0675","0.0714","","","","","","1.104","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2227609","16.7611","0.0002","11.5467","0.0002","16.6563","0.0002","90","","90","","90","","3223.58","0.08","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1H-imidazole","1-(3,5-Dimethylphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole hemihydrate","","- C19 H21 N2 O0.5 -","- C19 H21 N2 O0.5 -","- C152 H168 N16 O4 -","8","1","HG2722","Gayathri, P.; Thiruvalluvar, A.; Srinivasan, N.; Jayabharathi, J.; Butcher, R. J.","1-(3,5-Dimethylphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole hemihydrate","Acta Crystallographica Section E","2010","66","11","o2776","","10.1107/S1600536810039784","","","1.54184","CuKα","","0.0717","0.0621","","","0.164","0.1714","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227621","23.386","0.005","10.193","0.002","7.3442","0.0015","90","","90","","90","","1750.7","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[(2-aminophenyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(nitrato- κ<i>O</i>)zinc(II)","","- C14 H18 N4 O8 Zn -","- C14 H18 N4 O8 Zn -","- C56 H72 N16 O32 Zn4 -","4","0.5","HY2332","Esmhosseini, Majid","Bis[(2-aminophenyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(nitrato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2010","66","9","m1057","","10.1107/S1600536810030485","","","0.71073","MoKα","","0.1316","0.0877","","","0.1405","0.1535","","","","","","1.262","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227720","29.582","0.006","7.9657","0.0017","15.676","0.003","90","","90","","90","","3693.9","1.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 2-{(2<i>Z</i>)-2-[(1-naphthylsulfonyl)imino]-2,3-dihydro- 1,3-thiazol-4-yl}acetate monohydrate","","- C17 H18 N2 O5 S2 -","- C17 H18 N2 O5 S2 -","- C136 H144 N16 O40 S16 -","8","1","JH2215","Navarrete-Vázquez, Gabriel; Morales-Vilchis, Guadalupe; Estrada-Soto, Samuel; Rodríguez-López, Verónica; Tlahuext, Hugo","Ethyl 2-{(2<i>Z</i>)-2-[(1-naphthylsulfonyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}acetate monohydrate","Acta Crystallographica Section E","2010","66","11","o2744","","10.1107/S1600536810039279","","","0.71073","MoKα","","0.0644","0.0477","","","0.1264","0.143","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227845","8.9053","0.0018","8.6395","0.0017","12.527","0.003","90","","90","","90","","963.8","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[μ~10~-2,3-bis(carboxymethyl)butanedioato]disodium]","","- C8 H8 Na2 O8 -","- C8 H8 Na2 O8 -","- C32 H32 Na8 O32 -","4","0.5","NG5044","Wu, Jiang; Zhu, Hong-lin","Poly[[μ~10~-2,3-bis(carboxymethyl)butanedioato]disodium]","Acta Crystallographica Section E","2010","66","11","m1419","","10.1107/S1600536810040857","","","0.71073","MoKα","","0.0407","0.0383","","","0.1088","0.1108","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228043","46.248","0.019","6.465","0.003","7.47","0.003","90","","90","","90","","2233.5","1.6","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","felbinac","2-(Biphenyl-4-yl)acetic acid","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","VM2040","Van Eerdenbrugh, Bernard; Fanwick, Phillip E.; Taylor, Lynne S.","2-(Biphenyl-4-yl)acetic acid (felbinac)","Acta Crystallographica Section E","2010","66","10","o2609","","10.1107/S1600536810035828","","","1.54184","CU-Kα","","0.046","0.038","","","0.1","0.107","","","","","","1.084","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228246","17.4207","0.0002","14.9657","0.0001","16.5237","0.0001","90","","90","","90","","4307.94","0.06","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>- butylanilinato(2-)]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate","","- C20.5 H22 Cl3 Mo N3 O -","- C20.5 H22 Cl3 Mo N3 O -","- C164 H176 Cl24 Mo8 N24 O8 -","8","1","BV2152","Nielson, Alastair J.; Waters, Joyce M.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>-butylanilinato(2{-})]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate","Acta Crystallographica Section E","2010","66","12","m1659","m1660","10.1107/S1600536810047392","","","0.71073","MoKα","","0.0648","0.0425","","","0.0933","0.1024","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2228334","13.078","0.003","16.348","0.003","11.354","0.002","90","","90","","90","","2427.5","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ- 4,4'-bis(benzimidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C30 H24 Co N4 O4 -","- C30 H24 Co N4 O4 -","- C120 H96 Co4 N16 O16 -","4","0.5","HB5708","Huang, Ping-Yun; Wang, Jin-Guo","<i>catena</i>-Poly[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2010","66","12","m1638","","10.1107/S160053681004715X","","","0.71073","MoKα","","0.0359","0.0348","","","0.082","0.0829","","","","","","1.102","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228400","15.7628","0.0006","10.5672","0.0003","15.6178","0.0006","90","","90","","90","","2601.44","0.16","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate","","- C26 H26 N4 Ni O10 -","- C26 H26 N4 Ni O10 -","- C104 H104 N16 Ni4 O40 -","4","0.5","HY2372","Zha, Meiqin; Li, Xing; Bing, Yue; Luo, Zhengbing","Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate","Acta Crystallographica Section E","2010","66","12","m1570","","10.1107/S1600536810046118","","","0.71073","MoKα","","0.0467","0.03","","","0.0712","0.0736","","","","","","0.888","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228429","18.263","0.004","10.596","0.002","10.449","0.002","90","","90","","90","","2022","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","[1,1-(Butane-1,4-diyl)-2,3-dicyclohexylguanidinato]dimethylaluminum(III)","","- C19 H36 Al N3 -","- C19 H36 Al N3 -","- C76 H144 Al4 N12 -","4","0.5","JH2223","Li, Haoyang; Xiang, Yonggang; Han, Hongfei","[1,1-(Butane-1,4-diyl)-2,3-dicyclohexylguanidinato]dimethylaluminum(III)","Acta Crystallographica Section E","2010","66","12","m1598","","10.1107/S1600536810046787","","","0.71073","MoKα","","0.099","0.0951","","","0.2304","0.2319","","","","","","1.417","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228453","27.911","0.006","12.423","0.003","7.5895","0.0015","90","","90","","90","","2631.6","1","290","2","290","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis(4-fluorobenzoate)","","- C24 H24 F2 Mg N2 O8 -","- C24 H24 F2 Mg N2 O8 -","- C96 H96 F8 Mg4 N8 O32 -","4","0.5","KP2287","Zhang, Bi-Song; Qiu, Jian-Ping; Liu, Li-Hua; Xu, Wei","Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis(4-fluorobenzoate)","Acta Crystallographica Section E","2010","66","12","m1624","","10.1107/S1600536810047690","","","0.71073","MoKα","","0.087","0.0696","","","0.195","0.2071","","","","","","1.143","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228456","14.6818","0.0003","9.53505","0.00019","29.8893","0.0006","90","","90","","90","","4184.25","0.15","150","","150","","","","","","","","","3","P b c n","-P 2n 2ab","60","?-mangostin","1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one","","- C24 H26 O6 -","- C24 H26 O6 -","- C192 H208 O48 -","8","1","KP2293","Ee, Gwendoline Cheng Lian; Sim, Wei Chung; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik","1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one","Acta Crystallographica Section E","2010","66","12","o3362","o3363","10.1107/S1600536810049123","","","1.54184","CuKα","","0.0587","0.0406","","0.113","0.1064","0.113","","","","","","0.8745","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228534","28.328","0.006","14.818","0.003","8.7995","0.0016","90","","90","","90","","3693.7","1.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-Benzyl-6-butyl-5-propyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin- 7(6<i>H</i>)-one","","- C18 H23 N5 O2 -","- C18 H23 N5 O2 -","- C144 H184 N40 O16 -","8","1","RZ2509","Zeng, Xiao-Hua; Deng, Shou-Heng; Wang, Hong-Mei; Zheng, Ai-Hua; Chen, Ping","3-Benzyl-6-butyl-5-propyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2010","66","12","o3140","o3141","10.1107/S1600536810045575","","","0.71073","MoKα","","0.0944","0.0803","","","0.1659","0.1728","","","","","","1.205","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228603","15.812","0.002","10.6962","0.0015","15.636","0.002","90","","90","","90","","2644.5","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato- κ^2^<i>N</i>,<i>N</i>'}zinc(II) dihydrate","","- C26 H26 N4 O10 Zn -","- C26 H26 N4 O10 Zn -","- C104 H104 N16 O40 Zn4 -","4","0.5","XU5074","Bing, Yue; Li, Xing; Zha, Meiqin; Lu, Yue","Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato-κ^2^<i>N</i>,<i>N</i>'}zinc(II) dihydrate","Acta Crystallographica Section E","2010","66","12","m1524","m1525","10.1107/S160053681004496X","","","0.71073","MoKα","","0.0463","0.0296","","","0.0729","0.0829","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229024","21.032","0.003","6.2243","0.001","15.405","0.002","90","","90","","90","","2016.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,6-Bis(tosyloxymethyl)pyridine","","- C21 H21 N O6 S2 -","- C21 H21 N O6 S2 -","- C84 H84 N4 O24 S8 -","4","0.5","DN2643","Komarsamy, Lynette; Bala, Muhammad D.; Friedrich, Holger B.; Omondi, Bernard","2,6-Bis(tosyloxymethyl)pyridine","Acta Crystallographica Section E","2011","67","2","o302","","10.1107/S160053681100050X","","","0.71073","MoKα","","0.071","0.0471","","","0.117","0.1371","","","","","","0.962","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229140","20.7342","0.0006","11.132","0.0003","23.1608","0.0006","90","","90","","90","","5345.8","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-Isobutyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C208 H256 N32 O16 S16 -","16","2","LH5194","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","3-Isobutyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2011","67","2","o463","o464","10.1107/S1600536811002170","","","0.71073","MoKα","","0.0983","0.0624","","","0.1172","0.1308","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229164","19.2145","0.0014","11.3371","0.0008","10.3399","0.0007","90","","90","","90","","2252.4","0.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","<i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)- Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine","","- C14 H16 N2 -","- C14 H16 N2 -","- C112 H128 N16 -","8","1","NG5096","Lemmerer, Andreas; Michael, Joseph P.","<i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)-Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine","Acta Crystallographica Section E","2011","67","2","o394","","10.1107/S1600536811001048","","","0.71073","MoKα","","","0.0461","","","","0.1177","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229227","19.296","0.003","8.1417","0.0018","17.294","0.003","90","","90","","90","","2716.9","0.9","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]benzohydrazide","","- C15 H15 N3 O -","- C15 H15 N3 O -","- C120 H120 N24 O8 -","8","1","SJ5083","Tang, Chun-Bao","2-Methyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","2","o271","","10.1107/S1600536810054267","","","0.71073","MoKα","","0.1211","0.0559","","","0.1236","0.1579","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229276","7.2722","0.0014","11.536","0.002","28.444","0.006","90","","90","","90","","2386.2","0.8","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane","","- C22 H28 N8 Si -","- C22 H28 N8 Si -","- C88 H112 N32 Si4 -","4","0.5","XU5118","Wang, Peng; Yue, Zheng; Zhang, Jie; Feng, Sheng-Yu","Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane","Acta Crystallographica Section E","2011","67","2","o368","","10.1107/S160053681100033X","","","0.71073","MoKα","","0.123","0.0875","","","0.1897","0.2071","","","","","","1.137","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229280","16.987","0.005","9.635","0.003","31.982","0.01","90","","90","","90","","5234","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-{5-[(2-carboxyphenyl)sulfanylmethyl]-2,4-dimethylbenzylsulfanyl}benzoato-\ κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)iron(II)","","- C58 H52 Fe N2 O8 S4 -","- C58 H52 Fe N2 O8 S4 -","- C232 H208 Fe4 N8 O32 S16 -","4","0.5","XU5127","Xu, Yu-Min; Hu, Tuo-Ping","Bis(2-{5-[(2-carboxyphenyl)sulfanylmethyl]-2,4-dimethylbenzylsulfanyl}benzoato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2011","67","2","m159","","10.1107/S1600536810054619","","","0.71073","MoKα","","0.1026","0.0474","","","0.0945","0.1135","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229354","11.951","0.002","19.549","0.004","13.726","0.003","90","","90","","90","","3206.8","1.1","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-Methyl-5-(3-methyl-4-chlorophenoxy)-3-trifluoromethyl- 1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-acetyloxime","","- C15 H13 Cl F3 N3 O3 -","- C15 H13 Cl F3 N3 O3 -","- C120 H104 Cl8 F24 N24 O24 -","8","1","CV5055","Dai, Hong; Shen, Yan-Fei; Chen, Jiao; Chen, Hong-Lian; Shen, Yong-Jun","(<i>E</i>)-1-Methyl-5-(3-methyl-4-chlorophenoxy)-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-acetyloxime","Acta Crystallographica Section E","2011","67","3","o726","","10.1107/S1600536811006696","","","0.71073","MoKα","","0.056","0.0461","","","0.1098","0.1153","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229436","17.183","0.002","6.5826","0.0009","17.983","0.002","90","","90","","90","","2034","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2'-[4,10-Bis(carboxymethyl)-4,10-diaza-1,7-diazoniacyclododecane-1,7- diyl]diacetate dihydrate","","- C16 H32 N4 O10 -","- C16 H32 N4 O10 -","- C64 H128 N16 O40 -","4","0.5","KP2290","Szalay, Paul S.; Zeller, Matthias; Hunter, Allen D.","2,2'-[4,10-Bis(carboxymethyl)-4,10-diaza-1,7-diazoniacyclododecane-1,7-diyl]diacetate dihydrate","Acta Crystallographica Section E","2011","67","3","o644","","10.1107/S1600536811004843","","","0.71073","MoKα","","0.0468","0.0416","","","0.108","0.1124","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229528","11.4128","0.0016","14.45","0.002","14.539","0.002","90","","90","","90","","2397.7","0.6","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Nitrophenyl 2-bromo-2-methylpropanoate","","- C10 H10 Br N O4 -","- C10 H10 Br N O4 -","- C80 H80 Br8 N8 O32 -","8","1","TK2722","Rizzoli, Corrado; Marku, Elda; Greci, Lucedio","4-Nitrophenyl 2-bromo-2-methylpropanoate","Acta Crystallographica Section E","2011","67","3","o698","","10.1107/S1600536811005988","","","0.71073","MoKα","","0.1009","0.0457","","","0.1209","0.1321","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229627","13.8406","0.0012","16.5192","0.0008","19.4719","0.0013","90","","90","","90","","4452","0.5","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2<i>E</i>)-3-{4-[(1<i>H</i>-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}- 1-(4-bromophenyl)prop-2-en-1-one monohydrate","","- C25 H23 Br N2 O4 -","- C25 H23 Br N2 O4 -","- C200 H184 Br8 N16 O32 -","8","1","EZ2232","Jasinski, Jerry P.; Miller, William M.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-{4-[(1<i>H</i>-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2011","67","4","o834","o835","10.1107/S1600536811008154","","","0.71073","MoKα","","0.1269","0.0578","","","0.1463","0.1598","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229643","17.103","0.0003","8.5544","0.0002","16.7062","0.0005","90","","90","","90","","2444.22","0.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')\ cobalt(II) monohydrate","","- C24 H25 Co N10 O -","- C24 H25 Co N10 O -","- C96 H100 Co4 N40 O4 -","4","0.5","FJ2407","Phatchimkun, Jaturong; Chaichit, Narongsak","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","4","m516","m517","10.1107/S1600536811011305","","","0.71073","MoKα","","0.0311","0.024","","","0.0638","0.0671","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229774","6.415","0.003","7.314","0.003","22.204","0.008","90","","90","","90","","1041.8","0.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Bis(1-methyl-1H-tetrazol-5-ylsulfanyl)methane","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane","","- C5 H8 N8 S2 -","- C5 H8 N8 S2 -","- C20 H32 N32 S8 -","4","0.5","NG5140","Wei, Wei; Xia, Zheng-qiang; Chen, San-ping; Gao, Sheng-li","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane","Acta Crystallographica Section E","2011","67","4","o999","","10.1107/S1600536811011007","","","0.71073","MoKα","","0.1244","0.0626","","","0.0886","0.1077","","","","","","1.206","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229855","16.9168","0.0005","15.2448","0.0003","11.8402","0.0003","90","","90","","90","","3053.51","0.13","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido- κ^2^<i>N</i>,<i>N</i>']bis(dimethyl sulfoxide-κ<i>O</i>)cadmium","","- C24 H30 Cd N8 O6 S4 -","- C24 H30 Cd N8 O6 S4 -","- C96 H120 Cd4 N32 O24 S16 -","4","0.5","TK2721","Hossain, G. M. Golzar","<i>cis</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido-κ^2^<i>N</i>,<i>N</i>']bis(dimethyl sulfoxide-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2011","67","4","m505","m506","10.1107/S1600536811010816","","","0.71073","MoKα","","0.0697","0.0446","","","0.0962","0.1022","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229880","18.9148","0.0012","23.7112","0.0016","7.8701","0.0004","90","","90","","90","","3529.7","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]- μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]","","- C15 H18 Mn N2 O8 -","- C15 H18 Mn N2 O8 -","- C120 H144 Mn8 N16 O64 -","8","1","XU5169","Wang, Xiao-Hui","<i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]","Acta Crystallographica Section E","2011","67","4","m423","m424","10.1107/S1600536811008555","","","0.71073","MoKα","","0.0442","0.0315","","","0.081","0.0912","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230184","21.9202","0.0005","9.9343","0.0003","8.1005","0.0002","90","","90","","90","","1763.98","0.08","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,7<i>RS</i>)-2,5-Dichloro- 8-oxabicyclo[5.1.0]octan-3-ol","","- C7 H10 Cl2 O2 -","- C7 H10 Cl2 O2 -","- C56 H80 Cl16 O16 -","8","1","XU5182","Çetinkaya, Yasin; Menzek, Abdullah; Hökelek, Tuncer","(1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,7<i>RS</i>)-2,5-Dichloro-8-oxabicyclo[5.1.0]octan-3-ol","Acta Crystallographica Section E","2011","67","5","o1145","","10.1107/S1600536811013304","","","0.71073","MoKα","","0.119","0.0882","","","0.1777","0.1899","","","","","","1.18","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230244","18.9722","0.0006","18.2247","0.0004","16.5585","0.0004","90","","90","","90","","5725.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(μ~2~-2-methylimidazolato- κ^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-κ<i>N</i>)dizinc(II)]","","- C25 H26 N8 O6 Zn2 -","- C25 H26 N8 O6 Zn2 -","- C200 H208 N64 O48 Zn16 -","8","1","BT5531","Maniam, Palanikumar; Stock, Norbert","Poly[(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(μ~2~-2-methylimidazolato-κ^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-κ<i>N</i>)dizinc(II)]","Acta Crystallographica Section E","2011","67","6","m669","m670","10.1107/S1600536811015844","","","0.71073","MoKα","","0.0814","0.0614","","","0.1342","0.1433","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230426","16.981","0.005","15.291","0.005","18.665","0.005","90","","90","","90","","4846","2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-2,5-dihydrofuran-2,5-dione","","- C30 H22 O7 -","- C30 H22 O7 -","- C240 H176 O56 -","8","1","NC2225","Zhang, Tao; Wang, Wenjing; Xu, Jiao; Ni, Liwei; Zhang, Xing","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-2,5-dihydrofuran-2,5-dione","Acta Crystallographica Section E","2011","67","6","o1288","","10.1107/S1600536811015509","","","0.71069","MoKα","","0.1018","0.044","","","0.0922","0.1282","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230454","15.2947","0.0004","11.6259","0.0002","20.9388","0.0005","90","","90","","90","","3723.23","0.15","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one","","- C25 H16 F2 N2 O -","- C25 H16 F2 N2 O -","- C200 H128 F16 N16 O8 -","8","1","QK2004","Butcher, R. J.; Akkurt, M.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1346","o1347","10.1107/S1600536811016369","","","0.71073","MoKα","","0.064","0.0573","","","0.1311","0.135","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230459","17.4364","0.0003","10.4199","0.0002","16.9014","0.0003","90","","90","","90","","3070.74","0.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Triaquabis{2-methoxy-6-[(phenyliminiumyl)methyl]phenolate- κ<i>O</i>^1^}manganese(II) dinitrate","","- C28 H32 Mn N4 O13 -","- C28 H32 Mn N4 O13 -","- C112 H128 Mn4 N16 O52 -","4","0.5","RN2084","Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang","Triaquabis{2-methoxy-6-[(phenyliminiumyl)methyl]phenolate-κ<i>O</i>^1^}manganese(II) dinitrate","Acta Crystallographica Section E","2011","67","6","m813","m814","10.1107/S1600536811019593","","","0.71073","MoKα","","0.0702","0.0425","","","0.1065","0.118","","","","","","1.07","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230498","26.193","0.003","9.8005","0.0011","16.295","0.0018","90","","90","","90","","4183","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[dinitrato[μ~3~-2,4,6-tris(4-pyridyl)-1,3,5-triazine]cobalt(II)]","","- C18 H12 Co N8 O6 -","- C18 H12 Co N8 O6 -","- C144 H96 Co8 N64 O48 -","8","1","TK2740","Wang, Ya-Ping; Zhang, Ning; He, Xiang; Shao, Min; Li, Ming-Xing","Poly[dinitrato[μ~3~-2,4,6-tris(4-pyridyl)-1,3,5-triazine]cobalt(II)]","Acta Crystallographica Section E","2011","67","6","m751","","10.1107/S1600536811017661","","","0.71073","MoKα","","0.0598","0.0401","","","0.0959","0.1076","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230544","13.5295","0.0002","9.91538","0.00018","17.5297","0.0002","90","","90","","90","","2351.61","0.06","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)cadmium","","- C26 H16 Cd N6 S2 -","- C26 H16 Cd N6 S2 -","- C104 H64 Cd4 N24 S8 -","4","0.5","ZJ2006","Vallejo, Daniel; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2011","67","6","m704","m705","10.1107/S160053681101289X","","","0.71073","MoKα","","0.052","0.0398","","","0.1124","0.1172","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230896","12.96","0.006","17.635","0.007","7.288","0.003","90","","90","","90","","1665.7","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito- κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","","- C10 H20 Cu N6 O6 -","- C10 H20 Cu N6 O6 -","- C40 H80 Cu4 N24 O24 -","4","0.5","VN2010","Zhu, Run-Qiang","Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section E","2011","67","7","m937","","10.1107/S1600536811022367","","","0.71073","MoKα","","0.0356","0.0306","","","0.0759","0.0788","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230975","12.0344","0.0005","8.5795","0.0005","8.6794","0.0004","90","","90","","90","","896.14","0.08","290","1","290","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","dilithium dititanium(III/IV) tris(orthophosphate)","","- Li2 O12 P3 Ti2 -","- Li2 O12 P3 Ti2 -","- Li8 O48 P12 Ti8 -","4","0.5","WM2513","Kee, Yongho; Lee, Seoung-Soo; Yun, Hoseop","The mixed-valent titanium phosphate, Li~2~Ti~2~(PO~4~)~3~, dilithium dititanium(III/IV) tris(orthophosphate)","Acta Crystallographica, Section E","2011","67","9","i49","i49","10.1107/S1600536811031606","","","0.71073","MoKα","","","0.0464","","","","0.1122","","","","","","1.373","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231004","13.732","0.003","7.8522","0.0016","23.124","0.005","90","","90","","90","","2493.4","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,6-Trimethylanilinium 2-carboxyethanoate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C96 H136 N8 O32 -","8","1","BT5560","Rong, Tao","2,4,6-Trimethylanilinium 2-carboxyethanoate","Acta Crystallographica Section E","2011","67","8","o1921","","10.1107/S1600536811025578","","","0.71073","MoKα","","0.1224","0.0653","","","0.1425","0.1664","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231077","15.132","0.002","16.687","0.002","6.4503","0.0009","90","","90","","90","","1628.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]- μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C12 H18 Co N2 O6 S -","- C12 H18 Co N2 O6 S -","- C48 H72 Co4 N8 O24 S4 -","4","0.5","FI2108","Alam, Naveed; Zeller, Matthias; Ahmad Tajidi, Nur Syamimi; Arifin, Zainudin; Mazhar, Muhammad","<i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","8","m1065","m1066","10.1107/S1600536811025815","","","0.71073","MoKα","","0.0291","0.0269","","","0.073","0.0749","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231091","10.05","0.005","23.218","0.005","8.031","0.005","90","","90","","90","","1874","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[2.1.1]cryptand siliconhexafluoride","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate","","- C14 H30 F6 N2 O4 Si -","- C14 H30 F6 N2 O4 Si -","- C56 H120 F24 N8 O16 Si4 -","4","0.5","FY2006","Sen Gupta, Nalinava; Wragg, David S.; Tilset, Mats; Omtvedt, Jon Petter","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate","Acta Crystallographica Section E","2011","67","8","o1958","o1959","10.1107/S1600536811026006","","","0.71073","MoKα","","0.0774","0.039","","","0.0968","0.1157","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231392","16.0752","0.0016","13.914","0.0014","12.645","0.0013","90","","90","","90","","2828.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6-Methoxy-2-methyl-1-<i>m</i>-tolyl-1<i>H</i>-benzimidazole hemihydrate","","- C16 H17 N2 O1.5 -","- C16 H17 N2 O1.5 -","- C128 H136 N16 O12 -","8","1","AA2011","Fang, Xu-Bin; Fang, Lei; Liu, Xu-Ying","6-Methoxy-2-methyl-1-<i>m</i>-tolyl-1<i>H</i>-benzimidazole hemihydrate","Acta Crystallographica Section E","2011","67","9","o2263","","10.1107/S1600536811031060","","","0.71073","MoKα","","0.1008","0.0807","","","0.1455","0.1554","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231461","13.3797","0.0004","15.7975","0.0005","12.9998","0.0004","90","","90","","90","","2747.71","0.15","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate","","- C12 H16 Cl N5 O3 -","- C12 H16 Cl N5 O3 -","- C96 H128 Cl8 N40 O24 -","8","1","DN2714","Booysen, Irvin; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2436","o2437","10.1107/S1600536811033307","","","0.71073","MoKα","","0.0743","0.0424","","","0.098","0.1108","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231500","24.92","0.005","9.5033","0.0019","11.064","0.002","90","","90","","90","","2620.2","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>N</i>-(4-Chlorophenyl)-4-methylpiperazine-1-carboxamide","","- C12 H16 Cl N3 O -","- C12 H16 Cl N3 O -","- C96 H128 Cl8 N24 O8 -","8","1","HB6351","Li, Yu-Feng; Wang, Wen-Mei","<i>N</i>-(4-Chlorophenyl)-4-methylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","9","o2453","","10.1107/S1600536811034283","","","0.71073","MoKα","","0.083","0.0594","","","0.1545","0.1919","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231515","22.632","0.003","11.1961","0.0012","16.1137","0.0018","90","","90","","90","","4083.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-methyl- 1,3-benzothiazole","","- C24 H21 N3 O S -","- C24 H21 N3 O S -","- C192 H168 N24 O8 S8 -","8","1","HB6368","Fun, Hoong-Kun; Arshad, Suhana; Himaja, M.; Munirajasekhar, D.; Sarojini, B. K.","2-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-methyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","9","o2412","","10.1107/S1600536811033666","","","0.71073","MoKα","","0.0779","0.0409","","","0.1027","0.123","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231524","23.6018","0.0008","11.2077","0.0004","8.6653","0.0003","90","","90","","90","","2292.16","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[5-Methyl-2-(propan-2-yl)phenoxy]-<i>N</i>'- {2-[5-methyl-2-(propan-2-yl)phenoxy]acetyl}acetohydrazide","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","0.5","HB6377","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","2-[5-Methyl-2-(propan-2-yl)phenoxy]-<i>N</i>'-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetyl}acetohydrazide","Acta Crystallographica Section E","2011","67","9","o2414","","10.1107/S1600536811033964","","","0.71073","MoKα","","0.046","0.0407","","","0.1066","0.1111","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231618","8.678","0.003","9.818","0.003","17.088","0.005","90","","90","","90","","1455.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3,4,4-Tetrafluoro-1-[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]pyrrolidine","","- C14 H12 F8 N2 -","- C14 H12 F8 N2 -","- C56 H48 F32 N8 -","4","0.5","LR2025","Wang, Jin; Zhong, Jun-Wen; Liu, Pei-Lian; Cao, Wan-Wan; Zeng, Zhuo","3,3,4,4-Tetrafluoro-1-[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]pyrrolidine","Acta Crystallographica Section E","2011","67","9","o2399","","10.1107/S1600536811033757","","","0.71073","MoKα","","0.0947","0.071","","","0.1209","0.1286","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231860","26.4","0.005","8.893","0.005","17.492","0.005","90","","90","","90","","4107","3","197","2","197","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Acridine 0.75-hydrate","","- C13 H10.5 N O0.75 -","- C13 H10.5 N O0.75 -","- C208 H168 N16 O12 -","16","2","EZ2255","Schur, Einat; Bernstein, Joel; Lemmerer, Andreas; Vainer, Radion","Acridine 0.75-hydrate","Acta Crystallographica Section E","2011","67","10","o2761","","10.1107/S1600536811038220","","","0.71073","MoKα","","0.1336","0.0575","","","0.1437","0.1967","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231943","24.2052","0.0006","9.7594","0.0003","7.2764","0.0002","90","","90","","90","","1718.89","0.08","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Ethylpiperidinium chloride","","- C7 H16 Cl N -","- C7 H16 Cl N -","- C56 H128 Cl8 N8 -","8","1","IS2773","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Ethylpiperidinium chloride","Acta Crystallographica Section E","2011","67","10","o2653","","10.1107/S1600536811036804","","","0.71073","MoKα","","0.0591","0.04","","","0.0811","0.0882","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232061","11.6467","0.0003","16.5474","0.0004","15.7584","0.0003","90","","90","","90","","3037","0.12","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(triphenylphosphanylidene)ammonium hydrogen dichloride","","- C36 H31 Cl2 N P2 -","- C36 H31 Cl2 N P2 -","- C144 H124 Cl8 N4 P8 -","4","0.5","SU2304","Gellhaar, Jorit; Knapp, Carsten","Bis(triphenyl-λ^5^-phosphanylidene)ammonium hydrogen dichloride","Acta Crystallographica Section E","2011","67","10","o2546","","10.1107/S1600536811035057","","","0.71073","MoKα","","0.0377","0.0327","","","0.0821","0.0851","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232141","22.573","0.005","10.729","0.002","17.024","0.003","90","","90","","90","","4123","1.4","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(μ~2~-1,3-di-4-pyridylpropane)(μ~3~-1,3-phenylenediacetato)cadmium]","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C184 H176 Cd8 N16 O32 -","8","1","AA2028","Liu, Dong; Li, Ni-Ya","Poly[(μ~2~-1,3-di-4-pyridylpropane)(μ~3~-1,3-phenylenediacetato)cadmium]","Acta Crystallographica Section E","2011","67","11","m1540","","10.1107/S1600536811041432","","","0.71073","MoKα","","0.0846","0.0614","","","0.0994","0.1082","","","","","","1.192","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232598","9.4032","0.0003","10.0963","0.0002","25.9904","0.0007","90","","90","","90","","2467.46","0.11","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-Chloro-<i>N</i>-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","BT5712","Rodrigues, Vinola Z.; Kucková, Lenka; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","12","o3277","","10.1107/S1600536811047271","","","0.71073","MoKα","","0.1418","0.0627","","","0.1551","0.1907","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232688","11.093","0.0002","20.0537","0.0003","13.1409","0.0002","90","","90","","90","","2923.27","0.08","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","[8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone","","- C34 H36 O6 -","- C34 H36 O6 -","- C136 H144 O24 -","4","0.5","GK2430","Sasagawa, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3354","","10.1107/S1600536811048550","","","1.54187","CuKα","","0.0377","0.0365","","","0.104","0.1051","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232959","17.0146","0.0004","9.2193","0.0002","15.3843","0.0004","90","","90","","90","","2413.22","0.1","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Hydroxy-2-methyl-1-phenylindolin-3-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","TK5007","Pevec, Andrej; Kafka, Stanislav; Košmrlj, Janez","2-Hydroxy-2-methyl-1-phenylindolin-3-one","Acta Crystallographica Section E","2011","67","12","o3228","o3229","10.1107/S1600536811045302","","","0.71073","MoKα","","0.0721","0.0434","","","0.102","0.1155","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233057","24.419","0.005","10.147","0.002","8.241","0.0016","90","","90","","90","","2042","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(4-Fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone hemihydrate","","- C10 H9 F N3 O1.5 -","- C10 H9 F N3 O1.5 -","- C80 H72 F8 N24 O12 -","8","1","ZQ2131","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(4-Fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone hemihydrate","Acta Crystallographica Section E","2011","67","12","o3170","","10.1107/S1600536811045429","","","0.71073","MoKα","","0.1054","0.0536","","","0.1308","0.1603","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233392","11.285","0.002","15.048","0.003","17.576","0.004","90","","90","","90","","2984.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium","","- C30 H28 Cd N6 S2 -","- C30 H28 Cd N6 S2 -","- C120 H112 Cd4 N24 S8 -","4","0.5","BT5786","Malekshahian, Mohammad; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2012","68","2","m218","m219","10.1107/S1600536812002772","","","0.71073","MoKα","","0.049","0.0254","","","0.0688","0.0751","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233514","30.2449","0.0009","7.0841","0.0003","14.6755","0.0005","90","","90","","90","","3144.34","0.19","145","","145","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-(5-Oxo-5<i>H</i>-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","","- C15 H11 N O4 S3 -","- C15 H11 N O4 S3 -","- C120 H88 N8 O32 S24 -","8","1","IM2348","Yang, Jian-Zhong; Pi, Wei-Yi; Luo, You-Fu","4-(5-Oxo-5<i>H</i>-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","2","o450","","10.1107/S1600536811055607","","","0.7107","MoKα","","0.0403","0.0315","","","0.0731","0.0779","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233630","15.8761","0.0014","7.435","0.0007","20.7517","0.0013","90","","90","","90","","2449.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4'-Dibromo-2-nitrobiphenyl","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C96 H56 Br16 N8 O16 -","8","1","SU2358","Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin","4,4'-Dibromo-2-nitrobiphenyl","Acta Crystallographica Section E","2012","68","2","o319","","10.1107/S1600536812000347","","","0.71073","MoKα","","0.0947","0.0422","","","0.0797","0.0952","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233672","8.9223","0.0018","19.684","0.004","10.151","0.002","90","","90","","90","","1782.8","0.6","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","","- C12 H16 Cl N2 Nd O8 -","- C12 H16 Cl N2 Nd O8 -","- C48 H64 Cl4 N8 Nd4 O32 -","4","0.5","XU5361","Xue, Jun-Hui; Hua, Xiao-Hui; Li, Chun-Ping; Xu, Yi-Zhuang; Wu, Jin-Guang","<i>catena</i>-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","Acta Crystallographica Section E","2012","68","2","m170","m171","10.1107/S1600536811055619","","","0.71073","MoKα","","0.0795","0.063","","","0.1597","0.1902","","","","","","1.331","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233692","19.5624","0.0008","8.3501","0.0004","17.5346","0.0007","90","","90","","90","","2864.2","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","","- C15 H17 Br O2 S -","- C15 H17 Br O2 S -","- C120 H136 Br8 O16 S8 -","8","1","XU5434","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o373","","10.1107/S1600536811056091","","","0.71073","MoKα","","0.0863","0.0426","","","0.0811","0.0942","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233940","18.0199","0.0005","9.6391","0.0002","21.0754","0.0007","90","","90","","90","","3660.7","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","","- C21 H19 F2 N O2 -","- C21 H19 F2 N O2 -","- C168 H152 F16 N8 O16 -","8","1","MW2046","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","Acta Crystallographica Section E","2012","68","3","o585","","10.1107/S160053681200373X","","","1.54178","CuKα","","0.0693","0.055","","","0.1635","0.1801","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233996","21.9588","0.001","11.0866","0.0005","9.3132","0.0004","90","","90","","90","","2267.28","0.17","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C104 H80 Br8 N8 O8 -","8","1","SJ5193","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2012","68","3","o772","","10.1107/S1600536812006101","","","0.71073","MoKα","","0.0789","0.0562","","","0.1552","0.1737","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234007","19.467","0.003","12.655","0.002","16.138","0.002","90","","90","","90","","3975.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)- 3-methoxybenzohydrazide methanol monosolvate","","- C16 H16 I2 N2 O5 -","- C16 H16 I2 N2 O5 -","- C128 H128 I16 N16 O40 -","8","1","SU2374","Li, Xiao-Yan","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o654","","10.1107/S1600536812004552","","","0.71073","MoKα","","0.057","0.0387","","","0.0823","0.0912","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234026","19.774","0.005","9.774","0.003","24.25","0.006","90","","90","","90","","4687","2","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane- 1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","","- C46 H44 F12 Hg N6 O2 P2 -","- C46 H44 F12 Hg N6 O2 P2 -","- C184 H176 F48 Hg4 N24 O8 P8 -","4","0.5","VN2031","Wang, Jun-Wen; Guo, Yue; Dong, Gui-Ying; Gu, Yu; Bai, Di-Si","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane-1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","3","m302","","10.1107/S1600536812005958","","","0.71073","MoKα","","0.1169","0.0652","","","0.1465","0.1688","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234079","21.618","0.001","11.0561","0.0006","9.3318","0.0005","90","","90","","90","","2230.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","ZS2179","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","3","o897","","10.1107/S1600536812007635","","","0.71073","MoKα","","0.05","0.0356","","","0.09","0.0999","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234107","14.6192","0.0018","13.2572","0.0016","25.707","0.003","90","","90","","90","","4982.3","1","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>trans</i>-Bis(5-amino-1,3,4-thiadiazol-2-thiolato- κ<i>S</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II) dimethyl sulfoxide disolvate hemihydrate","","- C44 H47 N6 O2.5 P2 Pd S6 -","- C44 H46 N6 O2.5 P2 Pd S6 -","- C176 H184 N24 O10 P8 Pd4 S24 -","4","0.5","BR2190","Chontal-Vidal, Felipe; Arroyo-Gómez, Maricela; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","<i>trans</i>-Bis(5-amino-1,3,4-thiadiazol-2-thiolato-κ<i>S</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II) dimethyl sulfoxide disolvate hemihydrate","Acta Crystallographica Section E","2012","68","4","m483","m484","10.1107/S1600536812011555","","","0.71073","MoKα","","0.12","0.0567","","","0.1175","0.137","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234137","16.3594","0.0008","15.5106","0.0008","8.4686","0.0004","90","","90","","90","","2148.86","0.18","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Br4 Cu N2 O2 -","- C19 H16 Br4 Cu N2 O2 -","- C76 H64 Br16 Cu4 N8 O8 -","4","0.5","BV2199","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","4","m392","","10.1107/S1600536812009397","","","0.71073","MoKα","","0.0786","0.0387","","","0.068","0.078","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234262","12.9","0.002","14.004","0.003","13.44","0.003","90","","90","","90","","2428","0.8","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II)","","- C10 H9 Br2 N3 Pt -","- C10 H9 Br2 N3 Pt -","- C80 H72 Br16 N24 Pt8 -","8","1","HY2523","Ha, Kwang","Dibromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II)","Acta Crystallographica Section E","2012","68","4","m453","","10.1107/S1600536812011300","","","0.71073","MoKα","","0.0414","0.0288","","","0.066","0.0786","","","","","","1.102","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234307","13.878","0.003","13.475","0.003","17.421","0.004","90","","90","","90","","3257.8","1.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1<i>H</i>-pyrazole-4-carbonitrile","","- C16 H9 Cl2 N5 O2 -","- C16 H9 Cl2 N5 O2 -","- C128 H72 Cl16 N40 O16 -","8","1","KP2396","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Li, Chun-Yan; Xu, Li-Feng","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1142","","10.1107/S1600536812011506","","","0.71073","MoKα","","0.0799","0.0523","","","0.1258","0.1422","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234324","17.2444","0.0009","10.8583","0.0005","16.5268","0.0008","90","","90","","90","","3094.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(II) tetrahydrate","","- C23 H29 N9 O16 Zr -","- C23 H29 N9 O16 Zr -","- C92 H116 N36 O64 Zr4 -","4","0.5","LH5430","Tabatabaee, Masoumeh; Adineh, Mahnaz; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(II) tetrahydrate","Acta Crystallographica Section E","2012","68","4","m462","m463","10.1107/S1600536812011439","","","0.71073","MoKα","","0.0815","0.0559","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234525","24.545","0.008","8.689","0.003","15.809","0.005","90","","90","","90","","3371.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C152 H136 N8 O24 S8 -","8","1","BT5861","Anand, S.; Narayanan, S.; Sundaramoorthy, S.; Velmurugan, D.","Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","5","o1496","","10.1107/S1600536812014560","","","0.71073","MoKα","","0.0682","0.0407","","","0.107","0.1221","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234556","16.5762","0.0004","9.1158","0.0002","15.0288","0.0004","90","","90","","90","","2270.93","0.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tris(nitrato- κ^2^<i>O</i>,<i>O</i>')erbium(III)","","- C20 H16 Er N7 O9 -","- C20 H16 Er N7 O9 -","- C80 H64 Er4 N28 O36 -","4","0.5","CV5264","Yang, Hua","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)","Acta Crystallographica Section E","2012","68","5","m577","","10.1107/S1600536812014031","","","0.71073","MoKα","","0.031","0.0184","","","0.0417","0.0505","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234566","11.327","0.002","10.207","0.002","14.452","0.003","90","","90","","90","","1670.9","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1- yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C56 H56 Cl8 N16 Zn4 -","4","0.5","CV5275","Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng","<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1-yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2012","68","5","m621","","10.1107/S1600536812015395","","","0.71073","MoKα","","0.0263","0.0231","","","0.0616","0.0629","","","","","","1.081","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234605","15.0055","0.0002","8.0884","0.0001","17.8088","0.0003","90","","90","","90","","2161.46","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","","- C10 H14 Cl N3 -","- C10 H14 Cl N3 -","- C80 H112 Cl8 N24 -","8","1","GK2441","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Kovačević, Goran; Bajić, Miroslav","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","5","o1360","","10.1107/S1600536812014493","","","1.54184","CuKα","","","0.0314","","","","0.0984","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234618","14.465","0.01","15.83","0.01","6.99","0.005","90","","90","","90","","1600.6","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[diaquabis(2-ethyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)cadmium]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C10 H20 Cd N4 O6 S -","- C10 H20 Cd N4 O6 S -","- C40 H80 Cd4 N16 O24 S4 -","4","0.5","HB6691","Yu, Chua-Hua","<i>catena</i>-Poly[[diaquabis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","5","m655","","10.1107/S1600536812017059","","","0.71073","MoKα","","0.0394","0.035","","","0.0789","0.0815","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234645","17.0029","0.0007","8.0198","0.0003","19.6532","0.0007","90","","90","","90","","2679.91","0.18","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","","- C12 H18.5 Cu N2 O2.25 -","- C12 H18.5 Cu N2 O2.25 -","- C96 H148 Cu8 N16 O18 -","8","1","HB6739","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Hussain, Ajaz; Ahmed, Waseem; Arshad, Muhammad Nadeem","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","Acta Crystallographica Section E","2012","68","5","m670","","10.1107/S1600536812017102","","","0.71073","MoKα","","0.1273","0.0604","","","0.147","0.1901","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234923","16.3246","0.001","15.3063","0.0011","16.5084","0.001","90","","90","","90","","4124.9","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","","- C17 H22 Cd N2 O11 S -","- C17 H22 Cd N2 O11 S -","- C136 H176 Cd8 N16 O88 S8 -","8","1","BT5895","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","Acta Crystallographica Section E","2012","68","6","m715","","10.1107/S1600536812018727","","","0.71073","MoKα","","0.0495","0.0327","","","0.0817","0.0897","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234927","18.7735","0.001","10.8439","0.0006","28.7173","0.0016","90","","90","","90","","5846.2","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","","- C68 H76 N4 Ni O4 -","- C68 H76 N4 Ni O4 -","- C272 H304 N16 Ni4 O16 -","4","0.5","BT5904","Wang, Yu-Fang; Zhao, Hong-Bin; Chen, Liang; Yang, De-Liang; Wang, Bang-Ying","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m814","","10.1107/S160053681202226X","","","0.71073","MoKα","","0.0751","0.0558","","","0.1408","0.156","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234949","25.265","0.008","8.929","0.003","12.584","0.004","90","","90","","90","","2838.8","1.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","BT5926","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Danish, Muhammad; Holman, K. Travis","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1926","","10.1107/S1600536812022908","","","0.71073","MoKα","","0.0613","0.0423","","","0.0988","0.1087","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234999","22.137","0.004","9.918","0.002","7.5853","0.0015","90","","90","","90","","1665.4","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methylpiperidinium bromide","","- C6 H14 Br N -","- C6 H14 Br N -","- C48 H112 Br8 N8 -","8","1","FY2056","Xu, Qian","2-Methylpiperidinium bromide","Acta Crystallographica Section E","2012","68","6","o1962","","10.1107/S1600536812022878","","","0.71073","MoKα","","0.0961","0.0486","","","0.1003","0.1176","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235081","30.0648","0.0007","8.2468","0.0002","27.3311","0.0006","90","","90","","90","","6776.4","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate","","- C38 H29 Mn N4 O9.5 -","- C38 H29 Mn N4 O9.5 -","- C304 H232 Mn8 N32 O76 -","8","1","HY2545","Li, Quanwei; He, Li; Jin, Hongxiao","Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate","Acta Crystallographica Section E","2012","68","6","m798","","10.1107/S1600536812022155","","","1.54184","CuKα","","0.0554","0.0385","","","0.092","0.1066","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235113","22.0667","0.0008","9.0192","0.0003","17.4088","0.0006","90","","90","","90","","3464.8","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","","- C16 H20 Cu N2 O5 -","- C16 H20 Cu N2 O5 -","- C128 H160 Cu8 N16 O40 -","8","1","JJ2130","Kaewthong, Aphiwat; Sukwattanasinitt, Mongkol; Muangsin, Nongnuj","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section E","2012","68","6","m775","","10.1107/S1600536812020193","","","0.71073","MoKα","","0.0931","0.0578","","","","0.1719","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235189","15.9777","0.0013","11.4504","0.0009","7.7573","0.0006","90","","90","","90","","1419.21","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","0.5","PK2402","Campos-Gaxiola, José J.; Höpfl, Herbert; Aguirre, Gerardo; Parra-Hake, Miguel","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","6","o1873","","10.1107/S1600536812022611","","","0.71073","MoKα","","0.0444","0.0389","","","0.1025","0.1066","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235248","16.9336","0.001","15.9602","0.0012","8.7041","0.0005","90","","90","","90","","2352.4","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Cu I4 N2 O2 -","- C19 H16 Cu I4 N2 O2 -","- C76 H64 Cu4 I16 N8 O8 -","4","0.5","SU2420","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","6","m752","","10.1107/S1600536812020387","","","0.71073","MoKα","","0.0417","0.0263","","","0.0521","0.0589","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235249","16.1125","0.0011","15.4789","0.0012","8.4734","0.0005","90","","90","","90","","2113.3","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 Br4 N2 Ni O2 -","- C19 H16 Br4 N2 Ni O2 -","- C76 H64 Br16 N8 Ni4 O8 -","4","0.5","SU2421","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m753","","10.1107/S1600536812020375","","","0.71073","MoKα","","0.0544","0.0328","","","0.0677","0.0753","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235368","30.7877","0.0006","9.7608","0.0002","7.4757","0.0002","90","","90","","90","","2246.54","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cyclopropylammonium 4-iodobenzoate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C80 H96 I8 N8 O16 -","8","1","BT5937","Lemmerer, Andreas","Cyclopropylammonium 4-iodobenzoate","Acta Crystallographica Section E","2012","68","7","o2096","","10.1107/S160053681202449X","","","0.71073","MoKα","","","0.0229","","","","0.047","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235499","8.987","0.003","19.769","0.003","10.305","0.003","90","","90","","90","","1830.8","0.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato- κ^4^<i>O</i>:<i>O</i>'] chloride]","","- C12 H16 Cl La N2 O8 -","- C12 H16 Cl La N2 O8 -","- C48 H64 Cl4 La4 N8 O32 -","4","0.5","HY2530","Zhao, Jin-He","<i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride]","Acta Crystallographica Section E","2012","68","7","m972","","10.1107/S1600536812027778","","","0.71073","MoKα","","0.0287","0.0251","","","0.0561","0.0579","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235567","7.8809","0.0004","18.0518","0.001","20.1883","0.0011","90","","90","","90","","2872.1","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sjfbk04","Dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>:<i>O</i>-trizirconium(IV)","","- C30 H30 Cl2 O2 Zr3 -","- C30 H30 Cl2 O2 Zr3 -","- C120 H120 Cl8 O8 Zr12 -","4","0.5","PK2418","Kraft, Bradley M.; Brennessel, William W.","Dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>:<i>O</i>-trizirconium(IV)","Acta Crystallographica Section E","2012","68","7","m893","","10.1107/S1600536812024968","","","0.71073","MoKα","","0.082","0.0403","","","0.0835","0.1004","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235625","16.682","0.002","15.9978","0.0019","8.792","0.0009","90","","90","","90","","2346.4","0.5","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 I4 N2 Ni O2 -","- C19 H16 I4 N2 Ni O2 -","- C76 H64 I16 N8 Ni4 O8 -","4","0.5","SU2444","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","7","m935","","10.1107/S1600536812024944","","","0.71073","MoKα","","0.0869","0.0434","","","0.0801","0.0957","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235638","15.871","0.003","12.505","0.003","9.4133","0.0018","90","","90","","90","","1868.2","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","","- C18 H16 Cl4 N2 O2 -","- C18 H16 Cl4 N2 O2 -","- C72 H64 Cl16 N8 O8 -","4","0.5","SU2460","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","Acta Crystallographica Section E","2012","68","7","o2244","o2245","10.1107/S1600536812028693","","","0.71073","MoKα","","0.092","0.045","","","0.0791","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235639","15.9537","0.0012","12.8784","0.001","9.5566","0.0006","90","","90","","90","","1963.5","0.2","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dibromo-2-[(<i>E</i>)-(4-{[(<i>E</i>)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","","- C18 H16 Br4 N2 O2 -","- C18 H16 Br4 N2 O2 -","- C72 H64 Br16 N8 O8 -","4","0.5","SU2461","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dibromo-2-[(<i>E</i>)-(4-{[(<i>E</i>)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2270","o2271","10.1107/S1600536812028863","","","0.71073","MoKα","","0.0747","0.0347","","","0.065","0.0743","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235675","36.2497","0.0007","9.994","0.0002","8.9392","0.0002","90","","90","","90","","3238.49","0.12","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>]cadmium","","- C34 H30 Cd N4 S4 -","- C34 H30 Cd N4 S4 -","- C136 H120 Cd4 N16 S16 -","4","0.5","WM2651","Reza, M. S.; Islam, M. A. A. A. A.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]cadmium","Acta Crystallographica Section E","2012","68","7","m976","m977","10.1107/S1600536812028127","","","1.54187","CuKα","","0.0474","0.0417","","","0.1117","0.1149","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235726","36.3639","0.0006","10.11949","0.0001","8.77097","0.0001","90","","90","","90","","3227.58","0.07","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl <i>N'</i>-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^ <i>N</i>',<i>S</i>]mercury(II)","","- C34 H30 Hg N4 S4 -","- C34 H30 Hg N4 S4 -","- C136 H120 Hg4 N16 S16 -","4","0.5","ZS2213","Islam, M. A. A. A. A.; Reza, M. S.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^<i>N</i>',<i>S</i>]mercury(II)","Acta Crystallographica Section E","2012","68","7","m924","m925","10.1107/S1600536812025901","","","1.54187","CuKα","","","0.0379","","","","0.0972","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235836","15.7611","0.0009","18.0089","0.0011","11.6451","0.0007","90","","90","","90","","3305.3","0.3","100","1","100","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro- 1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","1","HB6880","Fun, Hoong-Kun; Ooi, Chin Wei; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","8","o2367","o2368","10.1107/S160053681203005X","","","0.71073","MoKα","","0.0459","0.037","","","0.1012","0.1083","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236093","13.3314","0.0011","13.5952","0.0012","10.6649","0.0009","90","","90","","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κ<i>Se</i>)(dimethyl sulfide-κ<i>S</i>)(0.65/0.35)]niobium(III)}(<i>Nb</i>—<i>Nb</i>)","","- C6 H18 Cl6 Nb2 S1.7 Se1.3 -","- C6 H18.0024 Cl6 Nb2 S1.706 Se1.294 -","- C24 H72.0096 Cl24 Nb8 S6.824 Se5.176 -","4","0.5","BT5971","Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira; Ng, Seik Weng","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κ<i>Se</i>)(dimethyl sulfide-κ<i>S</i>)(0.65/0.35)]niobium(III)}(<i>Nb</i>—<i>Nb</i>)","Acta Crystallographica Section E","2012","68","9","m1166","","10.1107/S1600536812033673","","","0.71073","MoKα","","0.0271","0.023","","","0.0546","0.0567","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236247","24.7506","0.0012","12.1689","0.0006","12.8408","0.0005","90","","90","","90","","3867.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(<i>E</i>)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]- 6-hydroxyphenolate","","- C19 H18 N4 O4 S -","- C19 H18 N4 O4 S -","- C152 H144 N32 O32 S8 -","8","1","HB6908","Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Shad, Hazoor Ahmad; Yaqub, Muhammad","2-[(<i>E</i>)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]-6-hydroxyphenolate","Acta Crystallographica Section E","2012","68","9","o2687","","10.1107/S1600536812034757","","","0.71073","MoKα","","0.1411","0.0543","","","0.1152","0.1508","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236418","20.567","0.002","12.2647","0.0014","8.4287","0.0007","90","","90","","90","","2126.1","0.4","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Bis(5-methoxysalicylidene)-2,2-dimethyl-1,3-propane]copper(II) hydrate","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","0.5","KP2436","Ganji, Fatemeh; Kargar, Hadi; Kia, Reza; Mirkhani, Valiollah; Tahir, Muhammad Nawaz","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","10","m1255","","10.1107/S1600536812038135","","","0.71073","MoKα","","0.1608","0.0509","","","0.1047","0.1399","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236614","22.3058","0.0004","14.6047","0.0003","16.8302","0.0003","90","","90","","90","","5482.77","0.18","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","","- C36 H22 F2 O4 -","- C36 H22 F2 O4 -","- C288 H176 F16 O32 -","8","1","RZ5018","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2012","68","11","o3246","","10.1107/S160053681204408X","","","1.54187","CuKα","","0.0361","0.0345","","","0.0896","0.0908","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236629","11.2806","0.0004","16.3703","0.0007","9.0253","0.0003","90","","90","","90","","1666.67","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato- κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]","","- C16 H16 N4 Ni O6 -","- C16 H16 N4 Ni O6 -","- C64 H64 N16 Ni4 O24 -","4","0.5","SU2481","Bian, Chang-Xin; Yao, Xiao-Qiang; Song, Yu-Min","Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]","Acta Crystallographica Section E","2012","68","10","m1286","m1287","10.1107/S1600536812038895","","","0.71073","MoKα","","0.0355","0.0304","","","0.0893","0.0926","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236640","25.836","0.003","10.482","0.0012","22.544","0.003","90","","90","","90","","6105.2","1.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","","- C26 H52 Co K N2 O6 -","- C26 H52 Co K N2 O6 -","- C208 H416 Co8 K8 N16 O48 -","8","1","SU2495","Brennessel, William W.; Ellis, John E.","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate({-}I)","Acta Crystallographica Section E","2012","68","10","m1257","m1258","10.1107/S1600536812038287","","","0.71073","MoKα","","0.0702","0.035","","","0.0645","0.0734","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236671","24.066","0.002","10.0715","0.0008","14.5969","0.0011","90","","90","","90","","3538","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^-<i>O</i>(μ~2~-2-amino-1- methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')- hexacarbonyldirhenium(I)","","- C12 H12 N3 O9 Re2 -","- C12 H12 N3 O9 Re2 -","- C96 H96 N24 O72 Re16 -","8","1","TK5155","Schutte, M.; Visser, H. G.; Roodt, A.","(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^<i>O</i>-(μ~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)","Acta Crystallographica Section E","2012","68","11","m1359","m1360","10.1107/S1600536812041700","","","0.71073","MoKα","","0.0335","0.03","","","","0.0784","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236755","14.2134","0.0004","10.2802","0.0002","24.2786","0.0007","90","","90","","90","","3547.51","0.16","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2- methylphenyl)prop-2-en-1-one","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C152 H152 Cl8 O40 -","8","1","ZJ2087","Patel, U. H.; Gandhi, S. A.; Barot, V. M.; Patel, M. C.","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2926","o2927","10.1107/S1600536812038275","","","0.71073","MoKα","","0.0501","0.0339","","","","0.0981","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236787","3.9231","0.0002","13.8213","0.0012","12.6465","0.0011","90","","90","","90","","685.72","0.09","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-diamino-3,4-dicyanothiophene","2,5-Diaminothiophene-3,4-dicarbonitrile","","- C6 H4 N4 S -","- C6 H4 N4 S -","- C24 H16 N16 S4 -","4","0.5","ZS2223","Ziegler, Christopher J.; Nemykin, Victor N.","2,5-Diaminothiophene-3,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2693","","10.1107/S1600536812034678","","","0.71073","MoKα","","0.0838","0.053","","0.1162","0.0845","0.1162","","","","","","0.9931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237043","13.5314","0.0016","8.0328","0.0009","15.922","0.002","90","","90","","90","","1730.6","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Rubia: RS087:PhPEtO2H","<i>rac</i>-Ethyl(phenyl)phosphinic acid","","- C8 H11 O2 P -","- C8 H11 O2 P -","- C64 H88 O16 P8 -","8","1","SU2532","Burrow, Robert A.; da Silva, Rubia M. Siqueira","<i>rac</i>-Ethyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2012","68","12","o3488","","10.1107/S160053681204812X","","","0.71073","MoKα","","0.0918","0.0445","","","0.1054","0.1278","","","","","","1.094","","","","has coordinates,has Fobs","204117","2020-10-21","18:00:00",""
"2237171","7.1282","0.0006","12.1466","0.001","26.363","0.002","90","","90","","90","","2282.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,1'-bis(tert-butyldimethylsilyl)ferrocene","1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene","","- C22 H38 Fe Si2 -","- C22 H38 Fe Si2 -","- C88 H152 Fe4 Si8 -","4","0.5","IS5223","Abri, Abdolreza; Soltani, Behzad; Ziegler, Christopher J.; Engle, James T.; Kia, Reza","1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene","Acta Crystallographica Section E","2013","69","1","m46","","10.1107/S1600536812049069","","","0.71073","MoKα","","0.0288","0.0262","","","0.0654","0.0672","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237381","25.9304","0.0003","8.93","0.0001","14.9377","0.0002","90","","90","","90","","3458.95","0.07","100","0.5","100","0.5","","","","","","","","2","P b c n","-P 2n 2ab","60","","2-[3-(Naphthalen-2-yl)phenyl]naphthalene","","- C26 H18 -","- C26 H18 -","- C208 H144 -","8","1","PV2619","Wolfenden, Mark L.; Dhar, Raj K.; Fronczek, Frank R.; Watkins, Steven F.","2-[3-(Naphthalen-2-yl)phenyl]naphthalene","Acta Crystallographica Section E","2013","69","2","o308","","10.1107/S1600536813002390","","","0.71073","MoKα","","","0.0453","","","","0.1252","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237441","16.1206","0.0012","9.372","0.0007","14.6367","0.0011","90","","90","","90","","2211.3","0.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[bis(μ~2~-5-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}tetrazolato)zinc]","","- C22 H18 N12 Zn -","- C22 H18 N12 Zn -","- C88 H72 N48 Zn4 -","4","0.5","ZQ2192","Song, Zhe","Poly[bis(μ~2~-5-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}tetrazolato)zinc]","Acta Crystallographica Section E","2013","69","2","m85","","10.1107/S1600536812050672","","","0.71073","MoKα","","0.0323","0.0285","","","0.0786","0.0813","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237451","27.2997","0.0015","9.7923","0.0006","15.8557","0.001","90","","90","","90","","4238.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","1","BT6885","Ganesh, Gnanavelu; Yuvaraj, PanneerSelvam; Kannan, Piskala Subburaman; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar","A diastereomer of methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","3","o441","","10.1107/S1600536813004868","","","0.71073","MoKα","","0.0916","0.0467","","","0.1117","0.1354","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237474","14.7196","0.0002","8.4891","0.0001","28.1096","0.0004","90","","90","","90","","3512.47","0.08","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 F2 N6 O5 -","- C16 H16 F2 N6 O5 -","- C128 H128 F16 N48 O40 -","8","1","GK2552","Kastelic, Jože; Kikelj, Danijel; Leban, Ivan; Lah, Nina","Fluconazole‒malonic acid (1/1)","Acta Crystallographica Section E","2013","69","3","o378","o379","10.1107/S1600536813003656","","","0.71073","MoKα","","0.0575","0.0382","","","0.0898","0.0997","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237509","29.0274","0.0016","14.5512","0.0008","5.8686","0.0003","90","","90","","90","","2478.8","0.2","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole","","- C14 H10 Cl N O S -","- C14 H10 Cl N O S -","- C112 H80 Cl8 N8 O8 S8 -","8","1","IS5237","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2013","69","3","o360","","10.1107/S1600536813001955","","","0.71073","MoKα","","0.0849","0.0761","","","0.2004","0.2081","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237608","9.6543","0.0006","9.7591","0.0011","18.579","0.003","90","","90","","90","","1750.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(4-sulfamoylanilinium) sulfate","","- C12 H18 N4 O8 S3 -","- C12 H18 N4 O8 S3 -","- C48 H72 N16 O32 S12 -","4","0.5","FB2278","Ravikumar, B.; Pandiarajan, S.; Athimoolam, S.","Bis(4-sulfamoylanilinium) sulfate","Acta Crystallographica Section E","2013","69","4","o596","","10.1107/S1600536813007216","","","0.71073","MoKα","","0.0401","0.0386","","","0.1028","0.1038","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237642","13.484","0.002","8.8741","0.0015","29.959","0.005","90","","90","","90","","3584.8","1","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dihydrate","","- C13 H21 N9 Ni O5 -","- C13 H21 N9 Ni O5 -","- C104 H168 N72 Ni8 O40 -","8","1","HY2617","Baisya, Siddhartha S.; Roy, Parag S.","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dihydrate","Acta Crystallographica Section E","2013","69","4","m193","m194","10.1107/S1600536813005898","","","0.71073","MoKα","","0.0434","0.0361","","0.0908","0.0876","0.0908","","","","","","0.9447","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237672","14.0663","0.0012","13.1359","0.0011","14.9278","0.0013","90","","90","","90","","2758.3","0.4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)","","- C22 H40 Cl2 Cu N4 S2 -","- C22 H40 Cl2 Cu N4 S2 -","- C88 H160 Cl8 Cu4 N16 S8 -","4","0.5","NC2307","Flörke, Ulrich; Ahmida, Aziza; Schröder, Jörg; Egold, Hans; Henkel, Gerald","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)","Acta Crystallographica Section E","2013","69","4","m211","","10.1107/S1600536813006879","","","0.71073","MoKα","","0.0633","0.043","","","0.096","0.1039","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237799","10.2657","0.0011","13.0675","0.0013","18.3415","0.0015","90","","90","","90","","2460.5","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis{2-[(4-methoxybenzylidene)amino]phenyl}disulfane","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","0.5","CV5405","Xin, Wei","1,2-Bis{2-[(4-methoxybenzylidene)amino]phenyl}disulfane","Acta Crystallographica Section E","2013","69","6","o896","","10.1107/S1600536813011598","","","0.71073","MoKα","","0.0842","0.0508","","","0.1206","0.1393","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237976","23.55","0.008","18.814","0.007","12.114","0.005","90","","90","","90","","5367","3","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate","","- C24 H33 O8 Rh S2 -","- C24 H33 O8 Rh S2 -","- C192 H264 O64 Rh8 S16 -","8","1","PK2474","Roy, Christopher P.; Boyer, Pauline M.; Merola, Joseph S.","Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate","Acta Crystallographica Section E","2013","69","5","m259","m260","10.1107/S160053681300860X","","","0.71073","MoKα","","0.0682","0.0383","","","0.0755","0.0861","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238032","14.868","0.007","6.161","0.003","28.609","0.013","90","","90","","90","","2621","2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline","","- C15 H14 Br N -","- C15 H14 Br N -","- C120 H112 Br8 N8 -","8","1","SU2579","Sun, Li-Xia; Zhu, Ling-Zhi; Wang, Jun-Kai","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline","Acta Crystallographica Section E","2013","69","5","o631","","10.1107/S1600536813008143","","","0.71073","MoKα","","0.1124","0.0577","","","0.125","0.1483","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238038","14.429","0.003","10.162","0.002","8.3313","0.0018","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","0.5","SU2586","Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan","8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene","Acta Crystallographica Section E","2013","69","5","o813","o814","10.1107/S1600536813011318","","","0.71073","MoKα","","0.0411","0.0325","","","0.0972","0.1058","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238054","19.966","0.004","10.355","0.002","15.536","0.003","90","","90","","90","","3212","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>Z</i>)-3-(3,4-Dimethoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","TK5214","Selvakumar, R.; Bakthadoss, M.; Vijayakumar, S.; Murugavel, S.","(<i>Z</i>)-3-(3,4-Dimethoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o708","","10.1107/S1600536813009598","","","0.71073","MoKα","","0.1007","0.0601","","","0.1514","0.1749","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238164","40.5848","0.0004","5.32093","0.00005","13.071","0.0001","90","","90","","90","","2822.67","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methyl 3-(10-bromoanthracen-9-yl)prop-2-enoate","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C144 H104 Br8 O16 -","8","1","GK2574","Bugenhagen, Bernhard; Al Jasem, Yosef; al Hindawi, Bassam; Al Rawashdeh, Nathir; Thiemann, Thies","(<i>E</i>)-Methyl 3-(10-bromoanthracen-9-yl)acrylate","Acta Crystallographica Section E","2013","69","7","o1138","o1139","10.1107/S1600536813016905","","","1.5418","CuKα","","0.0274","0.0264","","","0.0656","0.0659","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238419","12.2451","0.0005","16.5509","0.0006","15.8934","0.0006","90","","90","","90","","3221.1","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","","- C7 H20 Bi Cl5 N2 -","- C7 H20 Bi Cl5 N2 -","- C56 H160 Bi8 Cl40 N16 -","8","1","RZ5076","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","<i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","Acta Crystallographica Section E","2013","69","8","m437","","10.1107/S1600536813018102","","","0.71073","MoKα","","0.0334","0.0207","","","0.0455","0.0507","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238452","12.8911","0.0003","8.0049","0.0002","16.8757","0.0004","90","","90","","90","","1741.44","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride","","- C14 H22 Cl2 Co N2 O4 -","- C14 H22 Cl2 Co N2 O4 -","- C56 H88 Cl8 Co4 N8 O16 -","4","0.5","XU5717","Zeghouan, Ouahida; Guenifa, Fatiha; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride","Acta Crystallographica Section E","2013","69","8","m439","m440","10.1107/S1600536813018321","","","0.71073","MoKα","","0.0223","0.0198","","","0.0542","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238491","16.3379","0.0005","9.6445","0.0003","20.5078","0.0006","90","","90","","90","","3231.43","0.17","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl diethyldithiocarbamate","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C128 H136 N8 O24 S16 -","8","1","HB7115","Meenakshi, T. G.; Devarajegowda, H. C.; Kumar, K. Mahesh; Kotresh, O.; Devaru, Venkatesh B.","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl diethyldithiocarbamate","Acta Crystallographica Section E","2013","69","9","o1454","","10.1107/S1600536813021806","","","0.71073","MoKα","","0.0528","0.0351","","","0.0835","0.0895","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238701","7.0994","0.0014","25.014","0.005","9.4083","0.0019","90","","90","","90","","1670.8","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline","","- C22 H12 N4 O2 -","- C22 H12 N4 O2 -","- C88 H48 N16 O8 -","4","0.5","BT6933","Dong, Wen-xian; Tong, Rong-rong; Zheng, Chang-ge","2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2013","69","11","o1613","","10.1107/S160053681302641X","","","0.71073","MoKα","","0.0616","0.051","","","0.1089","0.1144","","","","","","1.184","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238795","26.488","0.003","9.7886","0.0011","12.2163","0.0013","90","","90","","90","","3167.4","0.6","98","2","98","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C30 H40 N10 O4 S2 -","- C30 H40 N10 O4 S2 -","- C120 H160 N40 O16 S8 -","4","0.5","SU2652","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒1,4-diazabicyclo[2.2.2]octane (2/1)","Acta Crystallographica Section E","2013","69","11","o1615","","10.1107/S1600536813027037","","","0.71073","MoKα","","0.049","0.044","","","0.11","0.1147","","","","","","0.985","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238814","15.8353","0.0007","10.226","0.0004","12.6532","0.0004","90","","90","","90","","2048.96","0.14","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C22 H22 Mn N2 O4 -","- C22 H22 Mn N2 O4 -","- C88 H88 Mn4 N8 O16 -","4","0.5","WM2774","Suckert, Stefan; Jess, Inke; Näther, Christian","Redetermination of bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2013","69","11","m620","","10.1107/S1600536813028614","","","0.71073","MoKα","","0.0562","0.0465","","","0.099","0.103","","","","","","1.161","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239079","18.926","0.003","8.0486","0.0009","16.337","0.003","90","","90","","90","","2488.6","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>N</i>'-[(1<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","","- C14 H12 F N3 O -","- C14 H12 F N3 O -","- C112 H96 F8 N24 O8 -","8","1","","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(1<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","Acta Crystallographica Section E","2014","70","2","o115","","10.1107/S1600536813035009","","","0.71073","MoKα","","0.0978","0.0508","","","0.1294","0.1608","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239327","21.805","0.004","9.871","0.002","8.8646","0.0018","90","","90","","90","","1908","0.6","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","","Shi, Huaduan; Qin, Haisha; Ma, Zhen","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","Acta Crystallographica Section E","2014","70","5","o552","","10.1107/S1600536814007673","","","0.71073","MoKα","","0.0608","0.041","","","0.1154","0.1324","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239418","10.7369","0.0004","9.177","0.0003","35.6567","0.0011","90","","90","","90","","3513.3","0.2","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C160 H168 N24 O8 S8 -","8","1","","Schollmeyer, Dieter; Detert, Heiner","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole","Acta Crystallographica Section E","2014","70","3","o247","","10.1107/S1600536814002153","","","0.71073","MoKα","","0.0573","0.0465","","","0.1111","0.1191","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239458","31.247","0.013","9.1889","0.001","9.3719","0.0012","90","","90","","90","","2690.9","1.2","293","2","293","2","101.325","","","","","","","5","P b c n","-P 2n 2ab","60","","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C128 H96 Cl8 N8 O8 -","8","1","","Ma, Ben; Zhou, Hongyan; Yang, Jingya","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2014","70","3","o259","","10.1107/S1600536814002335","","","0.71073","MoKα","","0.0982","0.0559","","","0.1148","0.1447","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239619","16.383","0.002","11.6119","0.0014","7.8213","0.0007","90","","90","","90","","1487.9","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(2<i>E</i>,7<i>E</i>)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","","- C17 H16 O S2 -","- C17 H16 O S2 -","- C68 H64 O4 S8 -","4","0.5","ZL2588","Nithya, C.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra","(2<i>E</i>,7<i>E</i>)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","Acta Crystallographica Section E","2014","70","6","o722","","10.1107/S1600536814011866","","","0.71073","MoKα","","0.0666","0.049","","","0.1423","0.1616","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239921","8.1736","0.0012","22.504","0.004","19.279","0.003","90","","90","","90","","3546.2","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>N</i>-(1-Allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C136 H128 Cl8 N24 O16 S8 -","8","1","TK5336","Chicha, Hakima; Rakib, El Mostapha; Chigr, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>-(1-allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1041","o1042","10.1107/S1600536814018194","","","0.71073","MoKα","","0.0786","0.043","","","0.1045","0.123","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239922","18.537","0.006","5.1997","0.0017","19.059","0.007","90","","90","","90","","1837","1.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Allylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C64 H64 N32 S8 -","8","1","IS5372","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 4-allylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2014","70","9","o1038","","10.1107/S1600536814018042","","","0.71073","MoKα","","0.1212","0.056","","","0.1458","0.1805","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240331","23.722","0.001","8.8117","0.0003","10.3903","0.0005","90","","90","","90","","2171.9","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","0.5","MW2128","Ouari, Kamel; Bendia, Sabrina; Merzougui, Moufida; Bailly, Corinne","1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","Acta Crystallographica Section E","2015","71","1","o51","o52","10.1107/S2056989014027236","","","0.71073","MoKα","","0.133","0.0538","","","0.1232","0.1603","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240408","19.7086","0.0005","20.3099","0.0007","8.8443","0.0004","90","","90","","90","","3540.2","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Gossypol hemiacetal tetramethyl ether","5,5'-Diisopropyl-2,2',3,3'-tetramethoxy-7,7'-dimethyl-2<i>H</i>,2'<i>H</i>-8,8'-bi[naphtho[1,8-<i>bc</i>]furan]-4,4'-diol","","- C34 H38 O8 -","- C34 H38 O8 -","- C136 H152 O32 -","4","0.5","CV5482","Honkeldieva, Muhabbat; Talipov, Samat; Mardanov, Rustam; Ibragimov, Bakhtiyar","Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate","Acta Crystallographica Section E","2015","71","2","184","187","10.1107/S2056989015000171","","","1.54184","CuKα","","0.1004","0.056","","","0.1426","0.1618","","","","","","0.928","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240446","12.6931","0.0008","10.9284","0.0006","18.8915","0.0012","90","","90","","90","","2620.5","0.3","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","","- C16 H13 N5 -","- C16 H13 N5 -","- C128 H104 N40 -","8","1","LH5746","Price, Ivy K.; Rougeot, Celine; Hein, Jason E.","Crystal structure of 5,7-diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2015","71","3","o192","","10.1107/S2056989015002984","","","1.54178","CuKα","","0.041","0.0349","","","0.0883","0.0927","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240594","5.4307","0.0019","8.131","0.003","36.149","0.01","90","","90","","90","","1596.2","0.9","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bis(4-methoxyphenyl) malonate","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","","Devarajegowda, H. C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.","Crystal structure of bis(4-methoxyphenyl) malonate","Acta Crystallographica Section E","2015","71","5","o330","o331","10.1107/S2056989015006891","","","0.71073","MoKα","","0.0699","0.0407","","","0.1341","0.1616","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","136386","2020-10-21","18:00:00",""
"2240607","17.644","0.003","9.9627","0.0019","7.816","0.0015","90","","90","","90","","1373.9","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","calcium levulinate dihydrate","<i>catena</i>-Poly[[diaquacalcium]-bis(μ~2~-4-oxobutanoato)]","","- C10 H18 Ca O8 -","- C10 H18 Ca O8 -","- C40 H72 Ca4 O32 -","4","0.5","ZS2328","Amarasekara, Ananda S.; Sterling-Wells, Dominique T.; Ordonez, Carlos; Ohoueu, Marie-Josiane; Fonari, Marina S.","Crystal structure of a polymeric calcium levulinate dihydrate: <i>catena</i>-poly[[diaquacalcium]-bis(μ~2~-4-oxobutanoato)]","Acta Crystallographica Section E","2015","71","5","494","497","10.1107/S2056989015006696","","","0.71073","MoKα","","0.0313","0.0299","","","0.0817","0.0828","","","","","","1.157","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240747","10.1558","0.0007","12.1446","0.0009","33.605","0.002","90","","90","","90","","4144.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 3-(5-chloro-2-phenyl-1<i>H</i>-indol-3-yl)-3-phenylpropanoate","","- C25 H22 Cl N O2 -","- C25 H22 Cl N O2 -","- C200 H176 Cl8 N8 O16 -","8","1","LH5763","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives as possible cannabinoid allosteric antagonists","Acta Crystallographica Section E","2015","71","6","654","659","10.1107/S2056989015008476","","","0.71075","MoKα","","0.0657","0.0528","","","0.1428","0.1528","","","","","","1.051","","","","has coordinates,has Fobs","137011","2020-10-21","18:00:00",""
"2240872","17.4845","0.0013","10.6593","0.0008","25.103","0.0018","90","","90","","90","","4678.5","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{Bis[(pyridin-2-yl)methyl](1,1,1,3-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate","","- C17 H19 Cl6 Cu N3 O4 -","- C17 H19 Cl6 Cu N3 O4 -","- C136 H152 Cl48 Cu8 N24 O32 -","8","1","LH5771","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Gray, Danielle L.; Parkin, Sean","Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate","Acta Crystallographica Section E","2015","71","7","847","851","10.1107/S2056989015011792","","","0.71073","MoKα","","0.0865","0.0454","","","0.0933","0.1078","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","139732","2020-10-21","18:00:00",""
"2240889","16.4198","0.0009","9.5438","0.0005","8.2402","0.0004","90","","90","","90","","1291.3","0.12","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[triaquastrontium]-di-μ~2~-glycinato] dibromide]","","- C4 H16 Br2 N2 O7 Sr -","- C4 H16 Br2 N2 O7 Sr -","- C16 H64 Br8 N8 O28 Sr4 -","4","0.5","WM5177","Revathi, Palanisamy; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure of <i>catena</i>-poly[[[triaquastrontium]-di-μ~2~-glycinato] dibromide]","Acta Crystallographica Section E","2015","71","7","875","878","10.1107/S2056989015012219","","","0.71073","MoKα","","0.0424","0.0228","","","0.0466","0.0569","","","","","","1.136","","","","has coordinates,has Fobs","139828","2020-10-21","18:00:00",""
"2240999","9.8438","0.0002","9.1897","0.0002","22.8948","0.0004","90","","90","","90","","2071.1","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^)-<i>trans</i>-bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cadmium]","","- C16 H18 Cd N12 O2 -","- C16 H18 Cd N12 O2 -","- C64 H72 Cd4 N48 O8 -","4","0.5","WM5187","Zhu, Jin-Li; Jiang, Guo -Qing; Guo, Xiao-Qing; Tang, Yan-Feng; Wang, Miao","Crystal structure of poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^)-<i>trans</i>-bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cadmium]","Acta Crystallographica Section E","2015","71","9","1022","1025","10.1107/S2056989015014516","","","0.71073","MoKα","","0.0601","0.0415","","","0.1338","0.1586","","","","","","1.069","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241021","11.9903","0.0002","10.1377","0.0002","20.1115","0.0005","90","","90","","90","","2444.63","0.09","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(1<i>H</i>-benzimidazol-2-yl)aniline]silver(I) nitrate","","- C26 H22 Ag N7 O3 -","- C26 H22 Ag N7 O3 -","- C104 H88 Ag4 N28 O12 -","4","0.5","IS5411","Kim, Youngtae; Kang, Sung Kwon","Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl)aniline]silver(I) nitrate","Acta Crystallographica Section E","2015","71","9","1058","1060","10.1107/S2056989015015315","","","0.71073","MoKα","","0.0419","0.0304","","","0.0736","0.0799","","","","","","1.064","","","","has coordinates,has Fobs","153583","2020-10-21","18:00:00",""
"2241215","13.796","0.0004","10.1905","0.0003","16.1305","0.0005","90","","90","","90","","2267.76","0.12","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dichloridobis[2-(phenyldiazenyl)pyridine-κ<i>N</i>^1^]zinc","","- C22 H18 Cl2 N6 Zn -","- C22 H18 Cl2 N6 Zn -","- C88 H72 Cl8 N24 Zn4 -","4","0.5","","Vittaya, Luksamee; Leesakul, Nararak; Saithong, Saowanit; Chainok, Kittipong","Crystal structure of dichloridobis[2-(phenyldiazenyl)pyridine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2015","71","11","m201","m202","10.1107/S2056989015019143","","","0.71073","MoKα","","0.047","0.0297","","","0.0729","0.0834","","","","","","1.056","","","","has coordinates,has Fobs","169810","2020-10-21","18:00:00",""
"2241626","31.2431","0.0006","10.7872","0.0002","15.2556","0.0003","90","","90","","90","","5141.53","0.17","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)","","- C44 H64 Cu4 N4 O14 -","- C44 H64 Cu4 N4 O14 -","- C176 H256 Cu16 N16 O56 -","4","0.5","LH5808","Huang, Guohui; Liu, Xiaoxuan","Crystal structure of a tetranuclear Cu^II^ complex with an <i>O</i>,<i>N</i>,<i>N</i>'-donor Schiff base ligand: hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)","Acta Crystallographica Section E","2016","72","4","597","599","10.1107/S2056989016005041","","","1.54178","CuKα","","0.058","0.038","","","0.0941","0.109","","","","","","1.051","","","","has coordinates,has Fobs","180669","2020-10-21","18:00:00",""
"2241885","15.6244","0.0002","10.8803","0.0002","17.9446","0.0003","90","","90","","90","","3050.55","0.09","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')zinc(II)","","- C32 H32 N4 O8 S2 Zn -","- C32 H32 N4 O8 S2 Zn -","- C128 H128 N16 O32 S8 Zn4 -","4","0.5","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71073","MoKα","","0.0442","0.0332","","","0.0851","0.0923","","","","","","1.037","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241947","7.163","0.0008","9.1309","0.001","29.694","0.003","90","","90","","90","","1942.1","0.4","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","4-Fluorobenzylammonium dihydrogen phosphate","","","- C7 H11 F N O4 P -","- C7 H11 F N O4 P -","- C56 H88 F8 N8 O32 P8 -","8","1","WM5335","Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca","Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~","Acta Crystallographica Section E","2016","72","12","1812","1815","10.1107/S2056989016018090","","","0.71073","MoKα","","0.0777","0.0774","","","0.1694","0.1695","","","","","","1.327","","","","has coordinates,has Fobs","188492","2020-10-21","18:00:00",""
"2242000","11.8301","0.0007","22.3946","0.0013","13.4254","0.0008","90","","90","","90","","3556.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium]","","- C32 H53 Br2 Li2 N3 O2 -","- C32 H53 Br2 Li2 N3 O2 -","- C128 H212 Br8 Li8 N12 O8 -","4","0.5","LH5823","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","0.71073","MoKα","","0.0701","0.0521","","","0.1329","0.1399","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242031","19.5028","0.0017","5.0553","0.0004","15.7573","0.0013","90","","90","","90","","1553.6","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","","- C14 H16 Cu2 O10 -","- C14 H16 Cu2 O10 -","- C56 H64 Cu8 O40 -","4","0.5","WM5360","van der Horn, Jitschaq A.; Lutz, Martin","Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","Acta Crystallographica Section E","2017","73","2","235","238","10.1107/S2056989017000883","","","0.71073","MoKα","","0.0741","0.038","","","0.0845","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","190798","2020-10-21","18:00:00",""
"2242063","16.565","0.003","18.474","0.004","14.606","0.003","90","","90","","90","","4469.8","1.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","μ~6~-Chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","","- C29 H24 Cl10 Cu6 N18 O2 -","- C29 H24 Cl10 Cu6 N18 O2 -","- C116 H96 Cl40 Cu24 N72 O8 -","4","0.5","WM5353","Shi, Kaige; Mathivathanan, Logesh; Raptis, Raphael G.","Crystal structure of μ~6~-chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","Acta Crystallographica Section E","2017","73","2","266","269","10.1107/S2056989017001189","","","0.71073","MoKα","","0.0533","0.041","","","0.1096","0.119","","","","","","1.078","","","","has coordinates,has Fobs","193933","2020-10-21","18:00:00",""
"2242065","16.148","0.0007","11.6519","0.0005","15.6329","0.0008","90","","90","","90","","2941.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C128 H64 N8 O32 Re8 S8 -","4","0.5","","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0358","0.0269","","","0.0569","0.0601","","","","","","1.071","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242166","6.5899","0.0002","17.6467","0.0004","8.5106","0.0002","90","","90","","90","","989.7","0.04","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium dimanganese(II) iron(III) tris(orthophosphate)","","- Ba Fe Mn2 O12 P3 -","- Ba Fe Mn2 O12 P3 -","- Ba4 Fe4 Mn8 O48 P12 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0221","0.0175","","","0.0423","0.0439","","","","","","1.052","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242167","6.4304","0.0003","17.8462","0.0007","8.4906","0.0003","90","","90","","90","","974.37","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Strontium dimanganese(II) iron(III) tris(orthophosphate)","","- Fe Mn2 O12 P3 Sr -","- Fe Mn2 O12 P3 Sr -","- Fe4 Mn8 O48 P12 Sr4 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0252","0.0208","","","0.0466","0.0479","","","","","","1.081","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242326","11.6178","0.0008","15.7762","0.0008","12.8621","0.0007","90","","90","","90","","2357.4","0.2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","0.5","WM5431","Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","Acta Crystallographica Section E","2018","74","2","167","171","10.1107/S2056989018000725","","","0.71073","MoKα","","0.067","0.0315","","","0.0739","0.0801","","","","","","0.746","","","","has coordinates,has Fobs","205327","2020-10-21","18:00:00",""
"2242566","19.103","0.005","17.414","0.004","19.053","0.005","90","","90","","90","","6338","3","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate","","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C228 H216 Br16 Cl8 N32 Ni8 O52 -","4","0.5","LH5876","Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.","The crystal structure of bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds","Acta Crystallographica Section E","2018","74","8","1121","1125","10.1107/S2056989018010277","","","0.71073","MoKα","","0.11","0.0607","","","0.1535","0.1783","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","209163","2020-10-21","18:00:00",""
"2242584","15.4081","0.0003","18.3762","0.0003","19.2154","0.0003","90","","90","","90","","5440.69","0.16","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(Carbonyl-1κ<i>C</i>)(1η^5^-pentamethylcyclopentadienyl)(μ-2,3,9,10-tetramethyl-1,4,8,11-tetrathiaundeca-2,9-diene-1,11-diido-1κ^2^<i>S</i>,<i>S</i>''':2κ^4^<i>S</i>,<i>S</i>',<i>S</i>'',<i>S</i>''')ironnickel(<i>Fe</i>—<i>Ni</i>) hexafluorophosphate","","- C22 H33 F6 Fe Ni O P S4 -","- C22 H33 F6 Fe Ni O P S4 -","- C176 H264 F48 Fe8 Ni8 O8 P8 S32 -","8","1","ZL2735","Harrison, Daniel J.; Lough, Alan J.; Fekl, Ulrich","A new structural model for NiFe hydrogenases: an unsaturated analogue of a classic hydrogenase model leads to more enzyme-like Ni—Fe distance and interplanar fold","Acta Crystallographica Section E","2018","74","9","1222","1226","10.1107/S2056989018010939","","","0.71073","MoKα","","0.1025","0.052","","","0.122","0.148","","","","","","1.07","","","","has coordinates,has Fobs","209710","2020-10-21","18:00:00",""
"2242871","13.3417","0.0008","7.103","0.0005","25.1418","0.0018","90","","90","","90","","2382.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(<i>Z</i>)-3-(4-Chlorophenyl)-2-phenylacrylonitrile","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C120 H80 Cl8 N8 -","8","1","","Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah","Quantitative analysis of weak non-covalent interactions in (<i>Z</i>)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from <i>PIXEL</i> and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","4","499","505","10.1107/S2056989019003694","","","1.54178","CuKα","","0.0549","0.0499","","","0.1178","0.1215","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","214373","2020-10-21","18:00:00",""
"2243006","18.8516","0.0006","10.6512","0.0003","9.2196","0.0003","90","","90","","90","","1851.22","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2'-Bis[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]-1,1'-biphenyl","","- C22 H8 F8 N2 O2 -","- C22 H8 F8 N2 O2 -","- C88 H32 F32 N8 O8 -","4","0.5","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0406","0.0357","","","0.0928","0.0983","","","","","","1.06","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243186","12.6336","0.0008","7.0701","0.0003","33.5956","0.0015","90","","90","","90","","3000.8","0.3","190","1","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1)‒4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O5 -","- C16 H11 Cl N2 O5 -","- C128 H88 Cl8 N16 O40 -","8","1","LH5935","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","12","1853","1856","10.1107/S205698901901497X","","","0.71075","MoKα","","0.0631","0.0456","","","0.1185","0.1362","","","","","","1.13","","","","has coordinates,has Fobs","225421","2020-10-21","18:00:00",""
"2243265","15.7831","0.0002","14.0136","0.0002","30.5583","0.0003","90","","90","","90","","6758.83","0.15","94.98","","94.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","","- C44.836 H83.674 Ba7 O33.892 -","- C44.838 H79.892 Ba7 O33.892 -","- C179.352 H319.568 Ba28 O135.568 -","4","0.5","WM5531","Samolová, Erika; Fábry, Jan","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","Acta Crystallographica Section E","2020","76","2","264","269","10.1107/S2056989020000924","","x-ray","0.71073","MoKα","","0.0324","","","","0.0696","0.071","","","","","","1.92","","","","has coordinates,has Fobs","247440","2020-10-21","18:00:00",""
"2243435","13.0747","","10.9656","","7.5822","","90","","90","","90","","1087.07","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243436","13.1334","","10.6781","","7.6125","","90","","90","","90","","1067.57","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243437","12.9747","","10.5449","","7.48","","90","","90","","90","","1023.39","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243449","3.9458","0.0015","11.434","0.003","33.366","0.011","90","","90","","90","","1505.3","0.9","298.65","","298.65","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(1,3-benzothiazol-2-yl) trithiocarbonate","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C60 H32 N8 S20 -","4","0.5","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0661","0.0505","","","0.1033","0.1097","","","","","","1.099","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243482","15.4653","0.0004","7.9639","0.0002","24.8116","0.0007","90","","90","","90","","3055.9","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C128 H120 N16 O8 S16 -","4","0.5","HB7929","Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T.","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1245","1250","10.1107/S2056989020008762","","","1.54178","CuKα","","0.0413","0.0377","","","0.0989","0.1022","","","","","","1.039","","","","has coordinates,has Fobs","254201","2020-10-21","18:00:00",""
"2243504","26.982","0.011","8.195","0.004","7.351","0.003","90","","90","","90","","1625.4","1.2","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(μ-6-sulfanylidenepiperidin-2-one-κ^2^<i>O</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C5 H7 Cu I N O S -","- C5 H7 Cu I N O S -","- C40 H56 Cu8 I8 N8 O8 S8 -","8","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0356","0.0322","","","0.0796","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243686","5.0826","0.0001","18.1273","0.0007","7.9875","0.0002","90","","90","","90","","735.92","0.04","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium terbium bis(molybdate)","","- K Mo2 O8 Tb -","- K Mo2 O8 Tb -","- K4 Mo8 O32 Tb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0354","0.033","","","0.1","0.1022","","","1.083","","","1.083","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:21",""
"2243687","5.0776","0.0002","18.1214","0.0007","7.9428","0.0003","90","","90","","90","","730.84","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium dysprosium bis(molybdate)","","- Dy K Mo2 O8 -","- Dy K Mo2 O8 -","- Dy4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0395","0.0325","","","0.0849","0.0882","","","1.096","","","1.096","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243688","5.077","0.0015","18.161","0.005","7.934","0.002","90","","90","","90","","731.5","0.3","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium holmium bis(molybdate)","","- Ho K Mo2 O8 -","- Ho K Mo2 O8 -","- Ho4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0316","0.0266","","0.0611","","0.0625","","","1.254","","","1.254","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243689","5.0602","0.0002","18.1965","0.0008","7.892","0.0003","90","","90","","90","","726.68","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium erbium bis(molybdate)","","- Er K Mo2 O8 -","- Er K Mo2 O8 -","- Er4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.03","0.0265","","0.0709","","0.0727","","","1.061","","","1.061","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243690","5.0417","0.0005","18.3039","0.0019","7.8693","0.0008","90","","90","","90","","726.2","0.13","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium ytterbium bis(molybdate)","","- K Mo2 O8 Yb -","- K Mo2 O8 Yb -","- K4 Mo8 O32 Yb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0267","0.0224","","0.0609","","0.0632","","","1.108","","","1.108","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243691","5.0292","0.0002","18.2519","0.001","7.8174","0.0004","90","","90","","90","","717.58","0.06","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium lutetium bis(molybdate)","","- K Lu Mo2 O8 -","- K Lu Mo2 O8 -","- K4 Lu4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0333","0.0273","","0.0733","","0.0769","","","1.17","","","1.17","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243716","19.9848","0.0008","10.3723","0.0003","14.4644","0.0005","90","","90","","90","","2998.3","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloridobis(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)tin(II)","","- C12 H14 Cl2 N2 O2 Sn -","- C12 H14 Cl2 N2 O2 Sn -","- C96 H112 Cl16 N16 O16 Sn8 -","8","1","","Henkel, Felix; Reuter, Hans","Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide","Acta Crystallographica Section E","2021","77","2","91","95","10.1107/S2056989021000025","","","0.71073","MoKα","","0.0335","0.0253","","","0.0586","0.0637","","","","","","1.1","","","","has coordinates,has Fobs","260883","2021-01-09","06:05:04",""
"2243849","7.0588","0.0002","7.4008","0.0002","21.5265","0.0004","90","","90","","90","","1124.56","0.05","100","0.3","100","0.3","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione","","- C14 H6 F4 O2 -","- C14 H6 F4 O2 -","- C56 H24 F16 O8 -","4","0.5","YK2148","Brown, Loren C.; Balaich, Gary J.","Crystal structure of 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione","Acta Crystallographica Section E","2021","77","7","700","702","10.1107/S2056989021005363","","x-ray","0.71073","MoKα","","0.0393","0.0322","","","0.0804","0.0851","","","","","","1.034","","","","has coordinates,has Fobs","266286","2021-06-09","05:19:06",""
"2243943","12.235","0.007","8.017","0.005","21.251","0.017","90","","90","","90","","2084","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethane-1,2-diamine)mercury(II)","","- C12 H26 Hg N2 O2 S4 -","- C12 H26 Hg N2 O2 S4 -","- C48 H104 Hg4 N8 O8 S16 -","4","0.5","EY2008","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010549","","","0.71073","MoKα","","0.086","0.0526","","","0.1295","0.1473","","","","","","0.997","","","","has coordinates,has Fobs","270048","2021-10-20","02:25:06",""
"2244057","14.87","0.0004","15.2915","0.0004","13.103","0.0004","90","","90","","90","","2979.42","0.14","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-[2,2-Dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","","- C14 H8 Br2 F N3 O2 -","- C14 H8 Br2 F N3 O2 -","- C112 H64 Br16 F8 N24 O16 -","8","1","HB8012","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Suleymanova, Gulnar T.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","Acta Crystallographica Section E","2022","78","4","","","10.1107/S205698902200278X","","","0.71073","MoKα","","0.0291","0.023","","","0.0547","0.0572","","","","","","1.061","","","","has coordinates,has Fobs","273776","2022-03-18","03:10:19",""
"2244109","20.8269","0.0002","9.09843","0.0001","9.0158","0.0001","90","","90","","90","","1708.42","0.03","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2'-(Phenylazanediyl)bis(1-phenylethan-1-one)","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","0.5","TX2050","Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one)","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005382","","","1.54184","CuKα","","0.0517","0.0505","","","0.1407","0.1418","","","","","","1.089","","","","has coordinates,has Fobs","275903","2022-06-08","02:18:07",""
"2244119","17.47811","0.0001","8.9357","0.00006","17.36177","0.0001","90","","90","","90","","2711.55","0.03","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","","- C26 H28 Mn N6 S2 -","- C26 H28 Mn N6 S2 -","- C104 H112 Mn4 N24 S8 -","4","0.5","HB8024","Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian","Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2022","78","7","755","760","10.1107/S2056989022006491","","x-ray","1.54184","CuKα","","0.0282","0.0277","","","0.0777","0.0782","","","","","","1.066","","","","has coordinates,has Fobs","276466","2022-07-01","01:56:49",""
"2244120","17.3733","0.0001","8.94119","0.00005","17.24862","0.0001","90","","90","","90","","2679.37","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C104 H112 Fe4 N24 S8 -","4","0.5","","Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian","Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2022","78","7","755","760","10.1107/S2056989022006491","","x-ray","1.54184","CuKα","","0.0261","0.0256","","","0.0723","0.0728","","","","","","1.056","","","","has coordinates,has Fobs","276466","2022-07-01","01:56:50",""
"2300186","13.1928","0.0004","9.9503","0.0003","17.1498","0.0008","90","","90","","90","","2251.29","0.14","32","2","32","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","DB5028","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71073","MoKα","","0.0986","0.045","","","0.0977","0.1083","","","","","","0.908","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300187","13.185","0.001","9.948","0.001","17.135","0.001","90","","90","","90","","2247.5","0.3","15","2","15","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71","synchrotron","","0.0879","0.0642","","","0.1718","0.1995","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300188","12.762","0.001","10.024","0.001","17.09","0.001","90","","90","","90","","2186.3","0.3","15","2","15","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Legrand, Vincent; Pillet, Sébastien; Weber, Hans-Peter; Souhassou, Mohamed; Létard, Jean-François; Guionneau, Philippe; Lecomte, Claude","On the precision and accuracy of structural analysis of light-induced metastable states","Journal of Applied Crystallography","2007","40","6","1076","1088","10.1107/S0021889807040149","","","0.71","synchrotron","","0.0665","0.0488","","","0.1364","0.1482","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2310464","4.576","","16.766","","4.967","","90","","90","","90","","381.074","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Fe2 (W O6)","","- Fe2 O6 W -","- Fe2 O6 W -","- Fe8 O24 W4 -","4","0.5","","Pinto, H.; Shaked, H.; Melamud, M.","Magnetic structure of Fe2 W O6, a neutron diffraction study","Acta Crystallographica A (24,1968-38,1982)","1977","33","","663","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310486","4.515","","5.497","","4.939","","90","","90","","90","","122.581","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","Ti O2","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.5","","Simons, P.Y.; Dachille, F.","The structure of Ti O2 II, a high-pressure phase of Ti O2","Acta Crystallographica (1,1948-23,1967)","1967","23","","334","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310562","8.14","","11.43","","11.39","","90","","90","","90","","1059.73","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- P4 S6.78 -","- P4 S6.78 -","- P16 S27.12 -","4","0.5","","Dixon, D.T.; Einstein, F.W.B.; Penfold, B.R.","The molecular and crystal structure of sulfur-deficient tetraphosphorus heptasulfide (P4 S7 - beta)","Acta Crystallographica (1,1948-23,1967)","1965","18","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310966","9.25","","8.74","","5.32","","90","","90","","90","","430.095","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Smith, J.V.","The crystal structure of proto-enstatite, Mg Si O3","Acta Crystallographica (1,1948-23,1967)","1959","12","","515","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311347","8.0245","0.0004","13.2482","0.0009","30.454","0.0019","90","","90","","90","","3237.6","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κ<i>N</i>^1^}diiodidocadmium methanol disolvate","","- C28 H30 Cd I2 N6 O6 -","- C28 H30 Cd I2 N6 O6 -","- C112 H120 Cd4 I8 N24 O24 -","4","0.5","SJ5516","Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet","Crystal structure of bis-{<i>N</i>'-[(<i>E</i>)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κ<i>N</i><sup>1</sup>}di-iodidocadmium methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","28","30","10.1107/S2056989016019575","","","0.71073","MoKα","","0.0481","0.0398","","","0.0925","0.0939","","","","","","0.881","","","","has coordinates","245814","2020-10-21","18:00:00",""
"2311405","23.4004","0.0005","15.1685","0.0004","9.2353","0.0003","90","","90","","90","","3278.06","0.15","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(nicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)zinc","","- C32 H36 N4 O7 Zn -","- C32 H36 N4 O7 Zn -","- C128 H144 N16 O28 Zn4 -","4","0.5","IS5478","Hökelek, Tuncer; Aşkın, Gülçin Şefiye; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)zinc.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1348","1352","10.1107/S2056989017011690","","","0.71073","MoKα","","0.0575","0.0446","","","0.1177","0.1272","","","","","","1.082","","","","has coordinates","245860","2020-10-21","18:00:00",""
"2311433","3.9464","0.0002","11.5015","0.0005","19.297","0.0009","90","","90","","90","","875.88","0.07","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Di(thiophen-3-yl) ketone","Bis(thiophen-3-yl)methanone","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C36 H24 O4 S8 -","4","0.5","QM2119","Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin","Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1560","1562","10.1107/S2056989017013342","","","0.71073","MoKα","","0.0744","0.0472","","","0.1264","0.1608","","","","","","1.129","","","","has coordinates","245881","2020-10-21","18:00:00",""
"2312040","13.131","0.004","14.423","0.004","26.523","0.007","90","","90","","90","","5023","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C232 H144 F32 N32 O32 -","8","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","","0.71073","MoKα","","0.0836","0.056","","","0.1357","0.154","","","","","","1.027","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312388","12.7195","0.0009","10.281","0.003","36.735","0.003","90","","90","","90","","4803.8","1.5","180","0.1","180","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{3-(3,4-dimethoxyphenyl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-\ 1,2,4-triazol-3-ato}iron(II)–methanol–chloroform (1/2/2)","","- C40 H40 Cl6 Fe N12 O6 -","- C40 H40 Cl6 Fe N12 O6 -","- C160 H160 Cl24 Fe4 N48 O24 -","4","0.5","TX2075","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis-{3-(3,4-di-meth-oxy-phen-yl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II)-methanol-chloro-form (1/2/2).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","962","966","10.1107/S2056989023008423","","x-ray","0.71073","MoKα","","0.159","0.0791","","","0.1178","0.1446","","","","","","1.034","","","","has coordinates,has Fobs","289231","2024-01-31","03:22:37",""
"2312707","11.694","0.0003","9.0285","0.0002","21.3258","0.0004","90","","90","","90","","2251.56","0.09","100","0.5","100","0.5","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H32.8 Cu4 Mo4 N8 O15.4 -","- C40 H32 Cu4 Mo4 N8 O15 -","- C80 H64 Cu8 Mo8 N16 O30 -","2","0.25","","Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia","Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","782","792","10.1107/S2052520624009934","","x-ray","0.71073","MoKα","","0.0351","0.0284","","","0.0712","0.0763","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","296756","2024-12-07","17:03:32",""
"2312712","25.1134","0.0003","8.387","0.0001","11.857","0.0002","90","","90","","90","","2497.39","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H42 N2 O10 -","- C22 H42 N2 O10 -","- C88 H168 N8 O40 -","4","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0524","0.0495","","","0.1375","0.1407","","","","","","1.094","","","","has coordinates,has Fobs","296757","2024-12-07","17:05:07",""
"2312713","24.8529","0.0003","8.3869","0.0001","11.939","0.0001","90","","90","","90","","2488.55","0.05","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H40 N2 O10 -","- C22 H40 N2 O10 -","- C88 H160 N8 O40 -","4","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0609","0.0587","","","0.1628","0.1647","","","","","","1.064","","","","has coordinates,has Fobs","296757","2024-12-07","17:05:07",""
"3000441","10.815","","12.611","","16.549","","90","","90","","90","","2257.08","","79","","79","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 N2 O S -","- C12 H10 N2 O S -","- C96 H80 N16 O8 S8 -","8","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1727","0.1377","","","0.3347","0.3488","","","","","","1.211","","","","has coordinates","285950","2023-09-01","07:38:31",""
"3000477","17.65084","0.00015","11.22737","0.00007","7.62231","0.00006","90","","90","","90","","1510.53","0.02","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C6 Al Li3 O16 -","","","","","","Alexander Missyul","?","To be published in Solids","","","","","","","","x-ray","0.9525","","","","","","","","","0.06221","","5.88","","","","","","","","289153","2024-01-19","09:32:35","2024-06-19"
"4000008","14.805","0.003","7.485","0.001","21.038","0.004","90","","90","","90","","2331.3","0.7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C2 H10 F Mn N2 O9 V3 -","- C2 H10 F Mn N2 O9 V3 -","- C16 H80 F8 Mn8 N16 O72 V24 -","8","1","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.077","0.0439","","0.1351","0.1004","","","","1.041","1.089","1.089","","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000274","17.4585","0.0003","9.9702","0.0001","12.2534","0.0002","90","","90","","90","","2132.88","0.05","150","1","150","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H16 F12 N2 O6 Ru -","- C12 H16 F12 N2 O6 Ru -","- C48 H64 F48 N8 O24 Ru4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0655","0.0354","","","0.0817","0.108","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000313","17.1013","0.0013","16.7999","0.0013","19.3768","0.0015","90","","90","","90","","5567","0.7","168","2","168","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H84 Co Li2 O6 -","- C56 H84 Co Li2 O6 -","- C224 H336 Co4 Li8 O24 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.142","0.0514","","","0.1195","0.1456","","","","","","0.877","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000335","12.3788","0.0018","22.512","0.003","12.3431","0.0018","90","","90","","90","","3439.6","0.9","173","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","01364e","","","- C20 H44 As2 F12 Li2 O10 -","- C40 H88 B8 F31.92 Li8 O20 -","- C160 H352 B32 F127.68 Li32 O80 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034352r","","","","","","0.0635","0.042","","","0.1009","0.1145","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4000670","19.112","0.0014","10.2646","0.0008","12.602","0.0012","90","","90","","90","","2472.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Dy2 P4 S16 -","- Ba3 Dy2 P4 S16 -","- Ba12 Dy8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0374","0.0275","","","0.0771","0.0985","","","","","","1.217","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000671","19.078","0.003","10.2413","0.0019","12.5682","0.0017","90","","90","","90","","2455.6","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Er2 P4 S16 -","- Ba3 Er2 P4 S16 -","- Ba12 Er8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0298","0.0272","","","0.0671","0.0682","","","","","","1.142","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000672","19.127","0.003","10.2795","0.0005","12.648","0.0016","90","","90","","90","","2486.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Gd2 P4 S16 -","- Ba3 Gd2 P4 S16 -","- Ba12 Gd8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0573","0.0463","","","0.1547","0.1613","","","","","","1.103","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000673","19.088","0.003","10.2481","0.0013","12.565","0.002","90","","90","","90","","2457.9","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Ho2 P4 S16 -","- Ba3 Ho2 P4 S16 -","- Ba12 Ho8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0476","0.0294","","","0.0684","0.0729","","","","","","1.023","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000674","19.113","0.002","10.261","0.0011","12.616","0.002","90","","90","","90","","2474.2","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 P4 S16 Tb2 -","- Ba3 P4 S16 Tb2 -","- Ba12 P16 S64 Tb8 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0884","0.0474","","","0.1473","0.1621","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000759","15.573","0.003","16.835","0.003","16.276","0.003","90","","90","","90","","4267.1","1.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoroocta-3,5-dionato)silver(I)-triethylphosphine","","- C16 H25 Ag F7 O2 P -","- C16 H25 Ag F7 O2 P -","- C128 H200 Ag8 F56 O16 P8 -","8","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0987","0.0751","","","0.1773","0.1893","","","","","","1.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000867","29.459","0.004","12.607","0.002","6.947","0.0005","90","","90","","90","","2580","0.6","250","2","250","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0962","0.0739","","","0.1822","0.2062","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000868","29.396","0.003","12.564","0.0018","6.906","0.0005","90","","90","","90","","2550.6","0.5","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.068","0.0501","","","0.1437","0.1553","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000869","29.313","0.012","12.572","0.007","6.818","0.0019","90","","90","","90","","2512.6","1.9","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.157","0.064","","","0.1551","0.203","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001371","27.5001","0.0004","11.99777","0.00018","7.25373","0.00011","90","","90","","90","","2393.29","0.06","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 N2 O21 P6 Pr2 -","- C6 H18 N2 O21 P6 Pr2 -","- C24 H72 N8 O84 P24 Pr8 -","4","0.5","","Cunha-Silva, Luís; Mafra, Luís; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Almeida Paz, Filipe A.","Photoluminescent Lanthanide−Organic 2D Networks: A Combined Synchrotron Powder X-ray Diffraction and Solid-State NMR Study","Chemistry of Materials","2007","19","14","3527","","10.1021/cm070596q","powder diffraction","","","X-ray","","","","","","","","","5.6443","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002232","12.544","","8.934","","11.3222","","90","","90","","90","","1268.86","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Rb2 (Te Mo2 O6 (P O4)2)","","- Mo2 O14 P2 Rb2 Te -","- Mo2 O14 P2 Rb2 Te -","- Mo8 O56 P8 Rb8 Te4 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs)","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002234","12.503","","8.912","","11.3","","90","","90","","90","","1259.12","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tl2 (Te Mo2 O6 (P O4)2)","","- Mo2 O14 P2 Te Tl2 -","- Mo2 O14 P2 Te Tl2 -","- Mo8 O56 P8 Te4 Tl8 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs)","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002235","12.367","","9.4907","","11.515","","90","","90","","90","","1351.53","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cs2 (Te Mo2 O6 (P O4)2)","","- Cs2 Mo2 O14 P2 Te -","- Cs2 Mo2 O14 P2 Te -","- Cs8 Mo8 O56 P8 Te4 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) D","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002307","8.452","","7.707","","12.271","","90","","90","","90","","799.328","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(U O2) (I O3)2 (H2 O)","","- H2 I2 O9 U -","- I2 O9 U -","- I8 O36 U4 -","4","0.5","","Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.","Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions","Chemistry of Materials (1,1989-)","2001","13","","1266","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4003008","35.1264","0.0011","27.9091","0.001","29.5657","0.0012","90","","90","","90","","28984.6","1.8","160","","160","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C716 H695.2 Ag232 Cs24 N46 O56 S192 -","8","1","","Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou","Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly","Chemistry of Materials","2019","31","13","4945","","10.1021/acs.chemmater.9b01890","","","0.71073","MoKα","","0.0736","0.049","","","0.1305","0.1427","","","","","","1.038","","","","has coordinates,has disorder","220431","2020-10-21","18:00:00",""
"4003319","28.9782","0.001","17.9781","0.001","12.4794","0.0005","90","","90","","90","","6501.4","0.5","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H21 Br Cd Cl N3 O10 -","- C27 H21 Br Cd Cl N3 O10 -","- C216 H168 Br8 Cd8 Cl8 N24 O80 -","8","1","","An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario","Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets","Chemistry of Materials","2016","28","21","7825","","10.1021/acs.chemmater.6b03224","","","0.71073","MoKα","","0.1894","0.0686","","","0.1539","0.1892","","","","","","0.804","","","","has coordinates","231513","2020-10-21","18:00:00",""
"4003400","41.4633","0.0011","9.0279","0.0003","8.7717","0.0002","90","","90","","90","","3283.48","0.16","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 I7 N3 Pb2 -","- C15 H26 I7 N3 Pb2 -","- C60 H104 I28 N12 Pb8 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.115","0.0544","","","0.1142","0.131","","","","","","1.17","","","","has coordinates","231574","2020-10-21","18:00:00",""
"4003516","16.151","0.008","11.854","0.005","6.795","0.004","90","","90","","90","","1300.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H2 Lu N O7 Se -","- H2 Lu N O7 Se -","- H16 Lu8 N8 O56 Se8 -","8","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0586","0.0485","","","0.1377","0.1438","","","","","","1.133","","","","has coordinates","249828","2020-10-21","18:00:00",""
"4004007","22.4702","0.0009","18.4743","0.0008","19.2456","0.0014","90","","90","","90","","7989.3","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 Bi2 Br9 N3 -","- C18 Bi2 Br9 N3 -","- C144 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1199","0.07","","","0.1689","0.1877","","","","","","1.03","","","","has coordinates,has disorder","267569","2021-07-15","22:36:52",""
"4004009","23.0597","0.0008","18.4426","0.0007","18.2352","0.0007","90","","90","","90","","7755.1","0.5","148","0.1","148","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H48 Bi2 Br9 N3 -","- C18 H48 Bi2 Br9 N3 -","- C144 H384 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1582","0.1292","","","0.3266","0.3499","","","","","","1.03","","","","has coordinates","267571","2021-07-15","22:37:35",""
"4020635","21.3729","0.0005","9.7107","0.0002","14.4801","0.0003","90","","90","","90","","3005.3","0.1","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 F2 N3 O2 S -","- C15 H15 F2 N3 O2 S -","- C120 H120 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020700","32.3497","0.0006","9.9117","0.0001","12.2514","0.0002","90","","90","","90","","3928.3","0.1","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H25 Cl N2 O3 -","- C22.5 H25 Cl N2 O3 -","- C180 H200 Cl8 N16 O24 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020885","21.31","0.02","9.721","0.008","8.755","0.005","89","","89","","90","","1813.4","0.2","296.1","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O -","- C11 H16 O -","- C88 H128 O8 -","8","1","","Naoki Kise","Theoretical Study of Electroreductive Intramolecular Coupling of Nonconjugated Olefinic and Aromatic Ketones","Journal of Organic Chemistry","2004","69","","2147","2152","10.1021/jo0356255","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020914","22.3292","0.0018","15.1543","0.001","8.8149","0.0008","90","","90","","90","","2982.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Br2 N4 O3 S -","- C30 H24 Br2 N4 O3 S -","- C120 H96 Br8 N16 O12 S4 -","4","0.5","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021133","17.9083","0.001","12.7853","0.0007","7.5734","0.0004","90","","90","","90","","1734.03","0.16","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 S -","- C22 H26 S -","- C88 H104 S4 -","4","0.5","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021356","21.577","0.004","7.3939","0.0015","15.952","0.003","90","","90","","90","","2545","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H15 N2 O2 S2 -","- C11 H15 N2 O2 S2 -","- C88 H120 N16 O16 S16 -","8","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.2173","0.0757","","","0.1437","0.1974","","","","","","0.961","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021380","15.4353","0.0012","10.5395","0.0007","21.014","0.002","90","","90","","90","","3418.6","0.4","123","2","123","2","","","","","","","synthesis","2","P b c n","-P 2n 2ab","60","","2,5-ditertbutylphenalene""","","- C21 H26 -","- C21 H25 -","- C168 H200 -","8","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1115","0.0734","","0.2253","0.1872","","","","1.003","1.061","1.061","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021553","38.507","0.003","11.0686","0.0008","13.5293","0.001","90","","90","","90","","5766.5","0.7","300","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H32 O10 -","- C30 H32 O10 -","- C240 H256 O80 -","8","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.0864","0.0665","","","0.1528","0.1639","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021558","18.193","0.005","11.808","0.003","9.98","0.003","90","","90","","90","","2143.9","1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H29 B F2 N2 O2 -","- C21 H29 B F2 N2 O2 -","- C84 H116 B4 F8 N8 O8 -","4","0.5","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.1235","0.1095","","","0.1916","0.1972","","","","","","1.331","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021721","6.1505","0.0002","12.5027","0.0002","16.6071","0.0003","90","","90","","90","","1277.05","0.05","150","","150","","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 O2 Os -","- C10 H22 N2 O2 Os -","- C40 H88 N8 O8 Os4 -","4","0.5","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0341","0.0225","","0.0348","0.0302","0.0302","","","","","","1.0531","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021741","17.47","0.002","28.695","0.004","27.5","0.003","90","","90","","90","","13786","3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dilithium 2,7-Bis(1,1-dimethylethyl)9,9-dimethyl-4,5-bis(1-(2,3-dimethyl phenylamido)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C73 H98 Li2 N4 O4 -","- C73 H98 Li2 N4 O4 -","- C584 H784 Li16 N32 O32 -","8","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1582","0.0907","","","0.2299","0.2549","","","","","","0.87","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021805","22.812","0.003","15.838","0.002","14.956","0.002","90","","90","","90","","5403.8","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 N5 O1.5 Pd -","- C26 H29 Cl2 N5 O1.5 Pd -","- C208 H232 Cl16 N40 O12 Pd8 -","8","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1166","0.0603","","","0.1545","0.1712","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021843","11.1852","0.0004","12.1545","0.0005","14.9021","0.0005","90","","90","","90","","2025.95","0.13","200","","200","","","","","","","","local","3","P b c n","-P 2n 2ab","60","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0718","0.0319","","0.0699","0.0366","0.0366","","","","","","1.1094","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021992","23.155","0.002","11.9939","0.0013","7.0969","0.0007","90","","90","","90","","1970.9","0.3","100","","100","","","","","","","","acetonitrile","4","P b c n","-P 2n 2ab","60","","2-N-phenyl-indazol-3-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","1.54178","CuKα","","0.1368","0.0638","","","0.1326","0.1689","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022150","11.155","0.018","7.505","0.013","16.57","0.04","90","","90","","90","","1387","5","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0802","0.0546","","","0.1415","0.153","","","","","","0.942","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022291","23.6973","0.0017","19.9952","0.0015","20.2313","0.0015","90","","90","","90","","9586","1","220","2","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C83 H132 N32 O16 -","- C47 H48 N20 O4 -","- C188 H192 N80 O16 -","4","0.5","","Hélène Sauriat-Dorizon; Thierry Maris; James D. Wuest; Gary D. Enright","Molecular Tectonics. Construction of Porous Hydrogen-Bonded Networks from Bisketals of Pentaerythritol","Journal of Organic Chemistry","2003","68","","240","246","10.1021/jo026267t","","","0.7107","MoKα","","0.1831","0.0836","","","0.1886","0.2203","","","","","","0.969","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022358","12.2443","0.0013","12.454","0.002","11.9541","0.0013","90","","90","","90","","1822.9","0.4","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H10 N O2 -","- C24 H10 N O2 -","- C96 H40 N4 O8 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.2089","0.1638","","","0.3901","0.4183","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022374","32.378","0.009","15.971","0.004","9.371","0.003","90","","90","","90","","4846","2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 Co2 O7 -","- C24 H22 Co2 O7 -","- C192 H176 Co16 O56 -","8","1","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0739","0.0468","","","0.1159","0.1291","","","","","","1.035","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022452","6.2662","0.0003","13.0714","0.0007","17.4538","0.0009","90","","90","","90","","1429.61","0.13","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","7-acetyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]thiadiazol-3-thione","","- C9 H8 N6 S5 -","- C9 H8 N6 S5 -","- C36 H32 N24 S20 -","4","0.5","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","","","0.0314","0.029","","","0.0705","0.0724","","","","","","1.109","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022618","29.633","0.002","17.158","0.001","12.5526","0.0009","90","","90","","90","","6382.3","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H38 Cl2 N10 O10 -","- C25.3345 H36.668 Cl0.99 N10 O10 -","- C202.676 H293.344 Cl7.92 N80 O80 -","8","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71069","MoKα","","0.1957","0.1001","","","0.2299","0.276","","","","","","1.075","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4023337","18.431","0.002","11.8956","0.0014","19.474","0.002","90","","90","","90","","4269.7","0.8","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C60 H42 -","- C60 H42 -","- C240 H168 -","4","0.5","","Sethuraman Sankararaman; Gandikota Venkataramana; Babu Varghese","Conformational Isomers from Rotation of Diacetylenic Bond in an Ethynylpyrene-Substituted Molecular Hinge","Journal of Organic Chemistry","2008","73","","2404","2407","10.1021/jo7024724","","","0.71073","MoKα","","0.1317","0.1174","","","0.4286","0.4362","","","","","","1.363","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023390","29.491","0.005","10.35","0.0016","13.652","0.002","90","","90","","90","","4167.1","1.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H33 N O5 -","- C21 H33 N O5 -","- C168 H264 N8 O40 -","8","1","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.1013","0.0555","","","0.1214","0.1361","","","","","","0.974","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4024296","22.5294","0.0012","13.8214","0.0008","10.741","0.0006","90","","90","","90","","3344.6","0.3","297","1","297","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0662","0.0552","","","0.1219","0.1239","","","","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024833","17.8857","0.0012","25.3005","0.0012","31.4601","0.0016","90","","90","","90","","14236.2","1.4","90","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","C70(CF3)10C2H4C6H2(MeO)2","C70(CF3)10C2H4C6H2(MeO)2","","- C104 H28 F30 O2 -","- C104 H28 F30 O2 -","- C832 H224 F240 O16 -","8","1","","Yuta Takano; M. Ángeles Herranz; Ivan E. Kareev; Steven H. Strauss; Olga V. Boltalina; Takeshi Akasaka; Nazario Martín","Efficient Regioselective [4+2] Cycloaddition of o-Quinodimethane to C70(CF3)10","Journal of Organic Chemistry","2009","74","","6902","6905","10.1021/jo9014358","","","0.71075","MoKα","","0.0976","0.0553","","","0.113","0.1266","","","","","","1.013","","","","has coordinates,has disorder","288183","2023-12-08","14:42:53",""
"4024951","12.1919","0.0005","13.4354","0.0006","25.0193","0.0011","90","","90","","90","","4098.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H31 N4 O4.5 Pd -","- C17.5 H31 N4 O4.5 Pd -","- C140 H248 N32 O36 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0491","0.0321","","","0.0686","0.07","","","","","","2.106","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4025253","21.609","0.004","8.9577","0.0016","15.245","0.003","90","","90","","90","","2950.9","1","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(R*)-3-bromo-5-((2S*,3S*)-5-oxo-2-phenylhexan-3-yl)-5H-furan-2-one","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0398","0.0303","","","0.0759","0.0811","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025863","18.5439","0.0017","8.3721","0.0008","21.282","0.002","90","","90","","90","","3304.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H19 N5 O4 S -","- C15 H19 N5 O4 S -","- C120 H152 N40 O32 S8 -","8","1","","Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin","Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes","Journal of Organic Chemistry","2010","75","","8662","8665","10.1021/jo1016376","","","0.71073","MoKα","","0.0388","0.0362","","","0.0966","0.0993","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025925","15.8798","0.0011","15.026","0.0011","8.5564","0.0006","90","","90","","90","","2041.6","0.3","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","3,4-diphenyl-2-methyl-5-methylidene-1-phenylethynylcyclopent-1-ene","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","0.5","","Curtis J. Rieder; Karl J. Winberg; F. G. West","Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement","Journal of Organic Chemistry","2011","76","","50","56","10.1021/jo101497f","","","0.71073","MoKα","","0.0443","0.0337","","","0.0803","0.0869","","","","","","1.032","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4026031","16.291","0.006","12.324","0.004","10.331","0.004","90","","90","","90","","2074.2","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H30 O6 P2 -","- C18 H30 O6 P2 -","- C72 H120 O24 P8 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0531","0.0463","","","0.1234","0.1292","","","","","","1.102","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026237","16.648","0.003","9.1111","0.0018","29.258","0.005","90","","90","","90","","4437.9","1.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","rac-2,2',5,5'-Tetrahydro-11,11'-binaphtho[2,3-b]oxepine","","- C31 H25 O2 -","- C31 H25 O2 -","- C248 H200 O16 -","8","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.2658","0.0778","","","0.1329","0.1958","","","","","","0.93","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026485","6.874","0.0002","15.5103","0.0004","17.3312","0.0005","90","","90","","90","","1847.81","0.09","296","2","296","2","","","","","","","synthetised","5","P b c n","-P 2n 2ab","60","","2-bromo-5-nitrobenzaldehyde O-methyloxime","","- C8 H7 Br N2 O3 -","- C8 H7 Br N2 O3 -","- C64 H56 Br8 N16 O24 -","8","1","","Emmanuelle Dubost; Christine Fossey; Thomas Cailly; Sylvain Rault; Frederic Fabis","Selective ortho-Bromination of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application to the Synthesis of Substituted 2-Bromobenzaldehydes","Journal of Organic Chemistry","2011","76","","6414","6420","10.1021/jo200853j","","","0.71073","MoKα","","0.0482","0.0295","","","0.0599","0.0648","","","","","","1.042","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026816","7.6223","0.0005","13.4408","0.0008","10.4167","0.0006","90","","90","","90","","1067.19","0.11","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- F5 Fe H8 N2 -","- F5 Fe N2 -","- F40 Fe8 N16 -","8","1","","Fourquet, J L; Le Bail, A; Duroy, H; Moron, M C","(NH4)2FeF5 : crystal structures of its alpha and beta forms","European Journal of Solid State and Inorganic Chemistry","1989","26","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4027177","20.608","0.005","9.544","0.002","15.325","0.004","90","","90","","90","","3014.2","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 N O3 -","- C17 H16 N O3 -","- C136 H128 N8 O24 -","8","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1361","0.0803","","","0.1989","0.2305","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027617","13.333","0.003","8.0402","0.0016","14.989","0.003","90","","90","","90","","1606.8","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","0.5","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0696","0.0655","","","0.137","0.1393","","","","","","1.212","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027945","12.228","0.0005","11.2609","0.0006","20.2299","0.0008","90","","90","","90","","2785.6","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C128 H128 N8 O24 S8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.0396","0.0357","","0.0389","0.0369","0.0369","","","","","","1.1537","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028284","11.9773","0.0005","33.8488","0.0014","26.8616","0.0012","90","","90","","90","","10890.2","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H27 N O -","- C36 H27 N O -","- C576 H432 N16 O16 -","16","2","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.088","0.0493","","","0.1194","0.1408","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028331","16.8116","0.001","10.7857","0.0004","35.2377","0.0017","90","","90","","90","","6389.5","0.5","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C75 H53 B2 Cl3 F4 N10 O6 -","- C74 H52 B2 F4 N10 O6 -","- C296 H208 B8 F16 N40 O24 -","4","0.5","","Hemanta Kalita; Way-Zen Lee; Mangalampalli Ravikanth","Synthesis and Functionalization of BF2-Complexes of meso-Free 25-Oxasmaragdyrin","Journal of Organic Chemistry","2013","78","","6285","6290","10.1021/jo400540u","","","0.71073","MoKα","","0.1387","0.0662","","","0.1279","0.1504","","","","","","0.933","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028444","50.558","0.003","10.0753","0.0006","20.1387","0.0012","90","","90","","90","","10258.4","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H12 Br2 S4 -","- C86 H12 Br2 S4 -","- C688 H96 Br16 S32 -","8","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1158","0.0717","","","0.1791","0.2041","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028552","23.5138","0.0007","13.2286","0.0004","9.4729","0.0003","90","","90","","90","","2946.59","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0432","0.0359","","","0.0934","0.0977","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4029140","13.0853","0.0013","11.4562","0.0012","20.7283","0.0019","90","","90","","90","","3107.3","0.5","170","2","170","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H24 N4 O3 -","- C15 H24 N4 O3 -","- C120 H192 N32 O24 -","8","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1347","0.049","","","0.0706","0.0847","","","","","","0.842","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029252","34.511","0.003","8.6859","0.0008","18.3438","0.0017","90","","90","","90","","5498.7","0.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0763","","","","0.2328","","","","","","1.057","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029694","18.293","0.002","22.343","0.003","9.9739","0.0013","90","","90","","90","","4076.5","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H27 Cl N2 O2 -","- C21 H27 Cl N2 O2 -","- C168 H216 Cl8 N16 O16 -","8","1","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.136","0.0717","","","0.1855","0.2172","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029952","11.6513","0.0002","12.2564","0.0002","15.2898","0.0003","90","","90","","90","","2183.43","0.07","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0573","0.0489","","","0.1258","0.1408","","","","","","1.245","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030282","23.825","0.003","14.044","0.001","6.673","0.001","90","","90","","90","","2232.8","0.5","","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H22 Ce2 O23 -","- C10 H16 Ce2 O23 -","- C40 H64 Ce8 O92 -","4","0.5","","Trombe, J.-C.; Petit, J.-F.; Gleizes, A.","Lanthanide oxalato-squarates : preparation and crystal structures of [Ce2(H2O)8(C4O4)2(C2O4)].3H2O and Eu2(H2O)4(C4O4)2(C2O4)","European Journal of Solid State and Inorganic Chemistry","1991","28","","669","681","","","x-ray","0.71069","MoKα","","","0.025","","","0.032","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030508","12.0769","0.0001","8.6732","0.0001","8.7293","0.0001","90","","90","","90","","914.354","0.017","","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Nb1.5 O12 P3 Sb0.5 -","- Nb1.5 O12 P3 Sb0.5 -","- Nb6 O48 P12 Sb2 -","4","0.5","","Jouanneaux, A.; Fitch, A. N.; Oyetola, S.; Verbaere, A.; Guyomard, D.; Piffard, Y.","The (MIII1/2M'V3/3)(PO4)3 compounds, M = Sb, Nd, Eu, Bi; M' = Sb, Nb, Ta. Preparation and structure","European Journal of Solid State and Inorganic Chemistry","1993","30","","125","137","","powder diffraction","x-ray","1.50481","","","","","","","","","","0.067","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030537","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030907","22.794","0.005","5.526","0.001","22.065","0.005","90","","90","","90","","2779.3","1","","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Bi2 O7 Te2 -","- Bi2 O7 Te2 -","- Bi32 O112 Te32 -","16","2","","Mercurio, D.; Champarnaud-Mesjard, J. C.; Gouby, I.; Frit, B.","On the crystal structure of Bi~2~Te~2~O~7~","European Journal of Solid State and Inorganic Chemistry","1998","35","1","49","65","10.1016/S0992-4361(98)80014-3","powder diffraction","neutron","1.594","","","","","","","","","","0.0369","","","","","","","","has coordinates","182187","2020-10-21","18:00:00",""
"4031010","21.0945","0.0005","13.8077","0.0007","12.4172","0.0002","90","","90","","90","","3616.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(TTF1)(CuBr4)","(TTF1)(CuBr4)","","- C30 H20 Br4 Cu S8 -","- C30 H20 Br4 Cu S8 -","- C120 H80 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","1.54184","CuKα","","0.055","0.0458","","","0.1168","0.1261","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031170","19.5452","0.0004","6.7915","0.00012","17.2517","0.0003","90","","90","","90","","2290.01","0.07","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 O2 S -","- C13 H14 O2 S -","- C104 H112 O16 S8 -","8","1","","Higashimae, Shinya; Tamai, Taichi; Nomoto, Akihiro; Ogawa, Akiya","Selective Thiolative Lactonization of Internal Alkynes Bearing a Hydroxyl Group with Carbon Monoxide and Organic Disulfides Catalyzed by Transition-Metal Complexes.","The Journal of organic chemistry","2015","80","14","7126","7133","10.1021/acs.joc.5b00977","","","0.71075","MoKα","","","0.0413","","","","0.1036","","","","","","1.144","","","","has coordinates","152879","2020-10-21","18:00:00",""
"4031377","8.14","","14.76","","8.68","","90","","90","","90","","1042.87","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","(Si H3)2 S","","- H6 S Si2 -","- H6 S Si2 -","- H48 S8 Si16 -","8","1","","Barrow, M.J.; Ebsworth, E.A.V.","Crystal and molecular structures of disilyl sulphide (at 120 K) and of disilyl selenide (at 125 K) and comparison with crystalline disilyl oxide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031522","18.776","","7.07","","14.958","","90","","90","","90","","1985.62","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Cs4 U5 O17","","- Cs4 O17 U5 -","- Cs4 O17 U5 -","- Cs16 O68 U20 -","4","0.5","","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","158062","2020-10-21","18:00:00",""
"4031913","5.9887","0.0002","10.5588","0.0003","28.4505","0.0009","90","","90","","90","","1799.02","0.1","210","2","210","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","7,11,18,21-Tetrathiatrispiro[5.2.2.512.29.26]henicosane","","- C17 H28 S4 -","- C17 H28 S4 -","- C68 H112 S16 -","4","0.5","","Wessig, P.; Gerngroß, M; Freyse, D.; Bruhns, P.; Przezdziak, M.; Schilde, U.; Kelling, A.","Molecular Rods Based on Oligo-spiro-thioketals.","The Journal of organic chemistry","2016","81","3","1125","1136","10.1021/acs.joc.5b02670","","","0.71073","MoKα","","0.0397","0.0365","","","0.0972","0.0987","","","","","","1.072","","","","has coordinates","177250","2020-10-21","18:00:00",""
"4032025","15.72","0.0004","10.2218","0.0003","12.7916","0.0003","90","","90","","90","","2055.44","0.09","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","","Berry, Ellen; Gomes, Gabriel Dos Passos; MacLean, Alex; Martin, Justin R.; Wiget, Paul A.","Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane.","The Journal of organic chemistry","2016","81","13","5740","5744","10.1021/acs.joc.6b00819","","","1.54178","CuKα","","0.0436","0.0436","","","0.1103","0.1103","","","","","","1.09","","","","has coordinates","184175","2020-10-21","18:00:00",""
"4032452","27.9369","0.0005","20.0666","0.0004","20.6827","0.0004","90","","90","","90","","11594.7","0.4","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H28 F6 O2 -","- C50 H28 F6 O2 -","- C600 H336 F72 O24 -","12","1.5","","Tseng, Ting; Lu, Hsiu-Feng; Kao, Chen-Yi; Chiu, Chun-Wei; Chao, Ito; Prabhakar, Chetti; Yang, Jye-Shane","Redox-Gated Tristable Molecular Brakes of Geared Rotation.","The Journal of organic chemistry","2017","82","10","5354","5366","10.1021/acs.joc.7b00729","","","1.54178","CuKα","","0.1026","0.0703","","","0.189","0.2221","","","","","","1.066","","","","has coordinates","197456","2020-10-21","18:00:00",""
"4032587","20.772","0.002","7.4286","0.0008","18.5851","0.0017","90","","90","","90","","2867.8","0.5","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.1256","0.0908","","","0.2756","0.3111","","","","","","1.049","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032684","16.81","0.004","10.863","0.002","15.317","0.003","90","","90","","90","","2797","1","170","","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Li, Yazhou; Li, Jian; Wu, Xiaowei; Zhou, Yu; Liu, Hong","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to 3-Carboxylate Substituted N-Hydroxyindoles.","The Journal of organic chemistry","2017","82","17","8984","8994","10.1021/acs.joc.7b01393","","","0.71073","MoKα","","0.0719","0.0461","","","0.1066","0.12","","","","","","1.036","","","","has coordinates","200678","2020-10-21","18:00:00",""
"4032726","16.9866","0.0013","7.995","0.0006","11.8016","0.0009","90","","90","","90","","1602.8","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H9 N2 O2 -","- C8 H9 N2 O2 -","- C64 H72 N16 O16 -","8","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0346","0.0326","","","0.0894","0.091","","","","","","1.058","","","","has coordinates","200306","2020-10-21","18:00:00",""
"4033619","29.4767","0.0008","7.5456","0.0002","21.702","0.0006","90","","90","","90","","4826.9","0.2","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cl3 I2 In N O2 -","- C23 H16 Cl1.5 I2 In N O2 -","- C184 H128 Cl12 I16 In8 N8 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.115","0.124","","","","","","0.892","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033660","7.4216","0.0003","21.0246","0.0009","18.741","0.0007","90","","90","","90","","2924.3","0.2","150","2","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl N O4 -","- C14 H16 Cl N O4 -","- C112 H128 Cl8 N8 O32 -","8","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.0455","0.0345","","","0.0868","0.094","","","","","","1.013","","","","has coordinates","220561","2020-10-21","18:00:00",""
"4033796","13.9994","0.001","15.5034","0.0011","15.4665","0.0013","90","","90","","90","","3356.8","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C168 H152 N16 O24 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0509","0.0467","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates,has disorder","222371","2020-10-21","18:00:00",""
"4033817","15.6241","0.0005","17.7725","0.0007","8.396","0.0005","90","","90","","90","","2331.4","0.18","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-(2-hydroxyphenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C96 H88 F24 N16 O8 -","8","1","","Rocha, Mariana; Gil, Diego M.; Echeverría, Gustavo A; Piro, Oscar E.; Jios, Jorge L.; Ulic, Sonia E.","Enol-imino-Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?","The Journal of organic chemistry","2019","84","17","11042","11053","10.1021/acs.joc.9b01533","","x-ray","0.71073","MoKα","","0.0929","0.0496","","","0.1021","0.1219","","","","","","1.034","","","","has coordinates,has disorder","222392","2020-10-21","18:00:00",""
"4033878","14.3827","0.0011","9.2545","0.0007","13.9386","0.0011","90","","90","","90","","1855.3","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.119","0.0633","","","0.1335","0.1572","","","","","","1.029","","","","has coordinates","222451","2020-10-21","18:00:00",""
"4034185","20.9298","0.0019","19.076","0.002","9.3341","0.001","90","","90","","90","","3726.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","CPC459F3a","","- C52 H37 N5 -","- C52 H37 N5 -","- C208 H148 N20 -","4","0.5","","Pérez-Caaveiro, Cristina; Oliva, María Moreno; López Navarrete, Juan T; Pérez Sestelo, José; Martínez, M Montserrat; Sarandeses, Luis A.","Synthesis of D-A-A and D-A-D Pyrimidine π-Systems Using Triorganoindium Reagents: Optical, Vibrational, and Electrochemical Studies.","The Journal of organic chemistry","2019","84","14","8870","8885","10.1021/acs.joc.9b00643","","x-ray","0.71073","MoKα","","0.1394","0.0819","","","0.152","0.1725","","","","","","1.138","","","","has coordinates","222727","2020-10-21","18:00:00",""
"4034503","27.438","0.005","8.466","0.0016","9.7512","0.0019","90","","90","","90","","2265.1","0.7","296.15","0.1","296.15","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Liu, Xing; Dong, Zhi-Bing","Chemoselective Chan-Lam Coupling Reactions between Benzimidazoline-2-thiones and Arylboronic Acids.","The Journal of organic chemistry","2019","84","18","11524","11532","10.1021/acs.joc.9b01370","","","0.71073","MoKα","","0.0637","0.0483","","","0.1004","0.1117","","","","","","1.141","","","","has coordinates","223008","2020-10-21","18:00:00",""
"4034576","8.345","0.003","11.25","0.003","30.833","0.009","90","","90","","90","","2894.6","1.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O3 -","- C16 H15 Cl O3 -","- C128 H120 Cl8 O24 -","8","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0482","0.0343","","","0.0878","0.0946","","","","","","0.901","","","","has coordinates","223064","2020-10-21","18:00:00",""
"4034805","23.7477","0.0013","7.4516","0.0003","7.8082","0.0004","90","","90","","90","","1381.73","0.12","292","","292","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","0.5","","Espinoza-Hicks, Carlos; Montoya, Pablo; Bautista, Rafael; Jiménez-Vázquez, Hugo A; Rodríguez-Valdez, Luz M; Camacho-Dávila, Alejandro A; Cossío, Fernando P; Delgado, Francisco; Tamariz, Joaquín","Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and Selectivity in Diels-Alder Cycloadditions.","The Journal of organic chemistry","2018","83","10","5347","5364","10.1021/acs.joc.7b02344","","","0.71073","MoKα","","0.08","0.0577","","","0.1268","0.1384","","","","","","1.075","","","","has coordinates","226325","2020-10-21","18:00:00",""
"4035084","26.509","0.005","10.6554","0.0019","14.59","0.003","90","","90","","90","","4121.1","1.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H34 N2 S4 -","- C17 H34 N2 S4 -","- C136 H272 N16 S32 -","8","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0861","0.0786","","","0.2039","0.21","","","","","","1.061","","","","has coordinates","226571","2020-10-21","18:00:00",""
"4035272","20.435","0.0004","9.87597","0.00018","22.7727","0.0004","90","","90","","90","","4595.88","0.15","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C232 H216 N8 O24 -","8","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1764","0.1193","","","0.271","0.364","","","","","","1.138","","","","has coordinates","226738","2020-10-21","18:00:00",""
"4035345","25.349","0.004","16.304","0.003","24.858","0.004","90","","90","","90","","10274","3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H40 Cl2 Co N8 -","- C46 H40 Cl2 Co N8 -","- C368 H320 Cl16 Co8 N64 -","8","1","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0442","0.0342","","","0.0895","0.0948","","","","","","1.044","","","","has coordinates,has disorder","226802","2020-10-21","18:00:00",""
"4035350","32.1927","0.001","18.4712","0.0005","11.935","0.0004","90","","90","","90","","7097","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38.5 H41 Cl O5 -","- C38 H40 O5 -","- C304 H320 O40 -","8","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0404","0.0374","","","0.0917","0.0932","","","","","","1.03","","","","has coordinates,has disorder","226807","2020-10-21","18:00:00",""
"4035427","17.2491","0.001","20.1577","0.0012","21.143","0.0011","90","","90","","90","","7351.5","0.7","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H30 Cl2 N4 O4 -","- C39 H30 Cl2 N4 O4 -","- C312 H240 Cl16 N32 O32 -","8","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.1558","0.099","","","0.2808","0.3263","","","","","","1.117","","","","has coordinates","226885","2020-10-21","18:00:00",""
"4035503","16.2526","0.0004","16.9979","0.0005","14.2159","0.0005","90","","90","","90","","3927.3","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H21.25 N O5.25 -","- C22 H21.25 N O5.25 -","- C176 H170 N8 O42 -","8","1","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","1.54178","CuKα","","0.09","0.0539","","","0.1471","0.1808","","","","","","1","","","","has coordinates","226951","2020-10-21","18:00:00",""
"4035861","16.1345","0.0009","17.9552","0.0008","13.8025","0.0007","90","","90","","90","","3998.6","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 I3 N16 Na3 O6 -","- C28 H36 I3 N16 Na3 O6 -","- C112 H144 I12 N64 Na12 O24 -","4","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0288","0.0226","","","0.0513","0.0547","","","","","","1.035","","","","has coordinates","227273","2020-10-21","18:00:00",""
"4036443","9.676","0.0004","13.6599","0.0005","16.9725","0.0006","90","","90","","90","","2243.31","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Phenyl((1R,2R,4S,5S,8r)-tricyclo[3.2.1.0^2,4^]octan-8-yl)methanone","","- C15 H16 O -","- C15 H16 O -","- C120 H128 O8 -","8","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.0701","0.0462","","","0.1173","0.1313","","","","","","1.03","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036884","16.80683","0.00018","14.18677","0.00016","10.38483","0.00011","90","","90","","90","","2476.1","0.05","99.9","0.5","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C96 H160 O40 -","8","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0318","0.0291","","","0.0739","0.0758","","","","","","1.003","","","","has coordinates","235364","2020-10-21","18:00:00",""
"4036904","15.6449","0.0002","9.02047","0.00012","23.2833","0.0003","90","","90","","90","","3285.84","0.07","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C152 H160 Br8 N8 O8 -","8","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0464","0.0336","","","0.0734","0.078","","","","","","1.053","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4037108","32.516","0.007","10.235","0.002","11.456","0.002","90","","90","","90","","3812.6","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 S3 Si2 -","- C14 H20 S3 Si2 -","- C112 H160 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.1233","0.0835","","","0.2045","0.2208","","","","","","1.101","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037147","10.3127","0.0007","15.4821","0.001","17.4751","0.001","90","","90","","90","","2790.1","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N8 O8 -","- C30 H32 N8 O8 -","- C120 H128 N32 O32 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.07","0.0351","","","0.068","0.0733","","","","","","0.883","","","","has coordinates","235717","2020-10-21","18:00:00",""
"4037613","8.2666","0.0007","8.808","0.001","32.691","0.001","90","","90","","90","","2380.3","0.3","294","2","294","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","0.5","","Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.","Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.","The Journal of organic chemistry","2000","65","10","3042","3046","10.1021/jo991741p","","","1.54178","CuKα","","0.0414","0.0332","","","0.0934","0.0987","","","","","","1.026","","","","has coordinates","243451","2020-10-21","18:00:00",""
"4037734","20.5404","0.0006","8.9927","0.0003","20.6948","0.0006","90","","90","","90","","3822.6","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Br N3 O2 -","- C22 H18 Br N3 O2 -","- C176 H144 Br8 N24 O16 -","8","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0905","0.0547","","","0.1078","0.119","","","","","","1.058","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037838","18.3076","0.0003","7.827","0.0001","22.6989","0.0004","90","","90","","90","","3252.61","0.09","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O6 Pd -","- C34 H28 N2 O6 Pd -","- C136 H112 N8 O24 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0586","0.0561","","","0.0984","0.0996","","","","","","1.251","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037863","25.7809","0.0017","6.5384","0.0007","25.2124","0.0018","90","","90","","90","","4249.9","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C96 H208 Cl16 F48 N16 O48 -","16","2","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0972","0.046","","","0.1097","0.1272","","","","","","0.922","","","","has coordinates","247270","2020-10-21","18:00:00",""
"4038156","50.063","0.002","16.205","0.0008","16.6954","0.0006","90","","90","","90","","13544.5","1","133","19","133","19","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H63 N O10 -","- C51 H63 N O10 -","- C612 H756 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1171","0.0996","","","0.2118","0.2222","","","","","","1.096","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038157","50.2896","0.0007","16.4078","0.0003","16.6971","0.0004","90","","90","","90","","13777.5","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H65 N O10 -","- C52 H65 N O10 -","- C624 H780 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1073","0.0672","","","0.1665","0.1917","","","","","","1.011","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038884","52.965","0.015","8.731","0.002","14.249","0.004","90","","90","","90","","6589","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C320 H256 N32 O32 -","16","2","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1202","0.0665","","","0.1315","0.1482","","","","","","1.116","","","","has coordinates","258313","2020-10-21","18:00:00",""
"4060016","16.487","0.003","22.667","0.005","18.672","0.004","90","","90","","90","","6978","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H55 Hf P Si6 -","- C25 H55 Hf P Si6 -","- C200 H440 Hf8 P8 Si48 -","8","1","","Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Synthesis of a Hafnocene Disilene Complex","Journal of the American Chemical Society","2005","127","","70","71","10.1021/ja0464387","","","0.71073","MoKα","","0.1059","0.071","","","0.1264","0.1384","","","","","","1.108","","","","has coordinates","277847","2022-09-14","22:27:54",""
"4060176","12.3936","0.0003","10.4536","0.0002","26.6811","0.0005","90","","90","","90","","3456.74","0.12","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Co4 Fe O14 -","- C32 H22 Co4 Fe O14 -","- C128 H88 Co16 Fe4 O56 -","4","0.5","","","","Organometallics","2005","","","","","","","","0.71069","MoKα","","0.0384","0.0327","","","0.09","0.1067","","","","","","1.202","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060236","19.4326","0.0003","10.2815","0.0002","30.2571","0.0004","90","","90","","90","","6045.26","0.17","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H14 Au2 Cl20 O4 Tl4 -","- C34 H14 Au2 Cl20 O4 Tl4 -","- C136 H56 Au8 Cl80 O16 Tl16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0711","0.0447","","","0.1044","0.1175","","","","","","1.061","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060584","30.52","0.007","8.022","0.004","21.531","0.006","90","","90","","90","","5271","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H32 Fe2 O4 Si2 -","- C24 H32 Fe2 O4 Si2 -","- C192 H256 Fe16 O32 Si16 -","8","1","","","","Organometallics","2006","","","","","10.1021/om050622z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060758","28.448","0.002","17.2688","0.0013","20.4503","0.0014","90","","90","","90","","10046.4","1.2","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","9CH2Cl2C5H12","[(6)Al2Me3]","","- C53 H77 Al2 Cl2 N O3 -","- C47 H63 Al2 N O3 -","- C376 H504 Al16 N8 O24 -","8","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1277","0.0866","","","0.2022","0.2233","","","","","","1.029","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4060766","32.258","0.0002","9.2442","0.0001","20.817","0.0001","90","","90","","90","","6207.62","0.08","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C33 H35 Cl N O4 P Pt -","- C33 H35 Cl N O4 P Pt -","- C264 H280 Cl8 N8 O32 P8 Pt8 -","8","1","","Meijer, Michel D.; Kleij, Arjan W.; Williams, B. Scott; Ellis, Dianne; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Construction of Supported Organometallics Using Cycloplatinated Arylamine Ligands","Organometallics","2002","21","2","264","271","10.1021/om010500g","","","0.71073","MoKα","","0.0271","0.0222","","","0.0533","0.0553","","","","","","1.046","","","","has coordinates","219038","2020-10-21","18:00:00",""
"4060996","15.829","0.002","17.574","0.003","29.319","0.004","90","","90","","90","","8156","2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 Ga Zr0.5 -","- C41 H54 Ga Zr0.5 -","- C328 H432 Ga8 Zr4 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049343m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061000","26.5408","0.0004","22.3417","0.0005","23.4476","0.0005","90","","90","","90","","13903.6","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C148 H112 Cl8 F20 P8 Pt4 -","- C148 H112 Cl8 F20 P8 Pt4 -","- C592 H448 Cl32 F80 P32 Pt16 -","4","0.5","","Owen, Gareth R.; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Tetraplatinum Bis(polyynediyl) Complexes with Laterally Arrayed sp Carbon Chains","Organometallics","2004","23","25","5893","5895","10.1021/om049354f","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061326","23.208","0.005","12.423","0.003","14.28","0.003","90","","90","","90","","4117.1","1.6","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H29 N S Si Ti -","- C20 H29 N S Si Ti -","- C160 H232 N8 S8 Si8 Ti8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030543s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061569","57.045","0.01","10.814","0.002","28.405","0.005","90","","90","","90","","17523","5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H108 O2 Si4 -","- C60 H108 O2 Si4 -","- C720 H1296 O24 Si48 -","12","1.5","","","","Organometallics","2005","","","","","10.1021/om050362l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061675","30.1098","0.0015","8.6819","0.0004","19.8139","0.001","90","","90","","90","","5179.6","0.4","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H41 Cl N P Ru -","- C27 H41 Cl N P Ru -","- C216 H328 Cl8 N8 P8 Ru8 -","8","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062010","11.9844","0.0011","14.5392","0.0014","19.9966","0.0018","90","","90","","90","","3484.3","0.6","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062128","28.819","0.008","16.342","0.004","20.397","0.005","90","","90","","90","","9606","4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H47 Mn N2 O4 P2 -","- C58 H47 Mn N2 O4 P2 -","- C464 H376 Mn8 N16 O32 P16 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062137","28.3317","0.0013","9.5796","0.0004","18.3486","0.0008","90","","90","","90","","4979.9","0.4","183","2","183","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17.5 H32 Cl4 N O0.5 Pd S2 -","- C17.5 H31 Cl4 N O0.5 Pd S2 -","- C140 H248 Cl32 N8 O4 Pd8 S16 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062177","23.307","0.0008","21.6187","0.0008","14.3394","0.0004","90","","90","","90","","7225.2","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H17 B F15 N Ni0.5 O2 -","- C34 H17 B F15 N Ni0.5 O2 -","- C272 H136 B8 F120 N8 Ni4 O16 -","8","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062808","23.825","0.0019","14.1571","0.0009","18.2978","0.0013","90","","90","","90","","6171.7","0.8","294","","294","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H49 N P2 Zr -","- C29 H49 N P2 Zr -","- C232 H392 N8 P16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049670u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062944","14.893","0.003","19.577","0.004","23.115","0.005","90","","90","","90","","6739","2","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H94 B20 Li2 N2 O4 Si2 Yb -","- C50 H94 B20 Li2 N2 O4 Si2 Yb -","- C200 H376 B80 Li8 N8 O16 Si8 Yb4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063091","15.9459","0.0005","19.129","0.0007","22.9692","0.0008","90","","90","","90","","7006.3","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H96 B20 Li2 O6 Si2 Yb -","- C55 H96 B20 Li2 O6 Si2 Yb -","- C220 H384 B80 Li8 O24 Si8 Yb4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063118","9.4118","0.0014","23.389","0.003","22.874","0.002","90","","90","","90","","5035.4","1.1","117","2","117","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C63 H58 N6 Zr -","- C63 H50 N6 Zr -","- C252 H200 N24 Zr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063158","25.544","0.001","18.742","0.0008","27.641","0.001","90","","90","","90","","13233.4","0.9","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H39 Mo N3 Si2 -","- C34 H39 Mo N3 Si2 -","- C544 H624 Mo16 N48 Si32 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049942t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063438","30.6779","0.0006","18.9288","0.0003","16.8358","0.0003","90","","90","","90","","9776.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C54 H72 B2 P2 -","- C54 H72 B2 P2 -","- C432 H576 B16 P16 -","8","1","","Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds","Organometallics","2010","29","2","378","","10.1021/om900800z","","","1.54178","CuKα","","0.1039","0.0781","","","0.2069","0.24","","","","","","1.008","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063739","29.6142","0.0009","12.8389","0.0003","12.4737","0.0002","90","","90","","90","","4742.7","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 N4 Te -","- C24 H18 Cl2 N4 Te -","- C192 H144 Cl16 N32 Te8 -","8","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.091","0.0636","","","0.0978","0.1029","","","","","","1.252","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4064591","19.1126","0.0003","26.6732","0.0009","17.5989","0.0005","90","","90","","90","","8971.8","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C100 H84 Cl4 Fe4 N16 O4 -","- C100 H84 Cl4 Fe4 N16 O4 -","- C400 H336 Cl16 Fe16 N64 O16 -","4","0.5","","Boudier, Adrien; Breuil, Pierre-Alain R.; Magna, Lionel; Rangheard, Claudine; Ponthus, Jérémie; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Novel Catalytic System for Ethylene Oligomerization: An Iron(III) Complex with an Anionic N,N,N Ligand","Organometallics","2011","30","10","2640","","10.1021/om200197s","","x-ray","0.71073","MoKα","","0.1455","0.0666","","","0.142","0.162","","","","","","1.044","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064730","14.1525","0.0005","28.7647","0.0008","17.0534","0.0005","90","","90","","90","","6942.3","0.4","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36.5 H51 Cl N4 O Ru -","- C36.5 H51 Cl N4 O Ru -","- C292 H408 Cl8 N32 O8 Ru8 -","8","1","","Risse, Julie; Scopelliti, Rosario; Severin, Kay","Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes","Organometallics","2011","30","12","3412","","10.1021/om200295c","","","0.71073","MoKα","","0.0768","0.061","","","0.1288","0.1334","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064764","13.438","0.001","18.496","0.001","20.214","0.01","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H19 Au F4 N P -","- C29 H19 Au F4 N P -","- C232 H152 Au8 F32 N8 P8 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","","0.71073","MoKα","","0.0735","0.0374","","","0.0839","0.1061","","","","","","1.232","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064807","24.514","0.005","16.466","0.003","23.715","0.004","90","","90","","90","","9573","3","200","2","200","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C99 H82 B2 Cl8 F8 Fe8 O8 P4 Pd2 -","- C99 H82 B2 Cl8 F8 Fe8 O8 P4 Pd2 -","- C396 H328 B8 Cl32 F32 Fe32 O32 P16 Pd8 -","4","0.5","","Dai, Huei-Fang; Chen, Chia-Hsiang; Yeh, Wen-Yann","Tetrairon Cluster Cp2Fe4(CO)4(C5H4PPh2)2As Flexible Hemilabile Tridentate Ligand","Organometallics","2011","30","12","3438","","10.1021/om200347d","","","0.71073","MoKα","","0.1044","0.0655","","","0.1587","0.1752","","","","","","1.06","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4065374","24.477","0.004","10.024","0.002","22.326","0.005","90","","90","","90","","5477.9","1.9","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H43 F6 Ir N5 P -","- C22 H43 F6 Ir N5 P -","- C176 H344 F48 Ir8 N40 P8 -","8","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane","Organometallics","2011","30","20","5487","","10.1021/om2007437","","","0.71073","MoKα","","0.0614","0.0529","","","0.1208","0.1256","","","","","","1.156","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065463","19.9629","0.0006","19.0706","0.0006","19.6393","0.0006","90","","90","","90","","7476.8","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H37 N P2 Ru -","- C46 H37 N P2 Ru -","- C368 H296 N8 P16 Ru8 -","8","1","","Hoyle, Marc-André M.; Pantazis, Dimitrios A.; Burton, Hannah M.; McDonald, Robert; Rosenberg, Lisa","Benzonitrile Adducts of Terminal Diarylphosphido Complexes: Preparative Sources of “Ru═PR2”","Organometallics","2011","30","23","6458","","10.1021/om200822e","","","0.71073","MoKα","","0.0473","0.0293","","","0.0622","0.0705","","","","","","1.024","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065665","27.621","0.004","8.5889","0.001","16.1","0.002","90","","90","","90","","3819.5","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H54 N2 Ti -","- C50 H54 N2 Ti -","- C200 H216 N8 Ti4 -","4","0.5","","Janssen, Thomas; Severin, René; Diekmann, Mira; Friedemann, Marion; Haase, Detlev; Saak, Wolfgang; Doye, Sven; Beckhaus, Rüdiger","Bis(η5:η1-pentafulvene)titanium Complexes: Catalysts for Intramolecular Alkene Hydroamination and Reagents for Selective Reactions with N−H Acidic Substrates†","Organometallics","2010","29","7","1806","","10.1021/om100056q","","","0.71073","MoKα","","0.0847","0.0404","","","0.0829","0.0905","","","","","","0.77","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4066148","24.0851","0.0003","17.0143","0.0004","19.4337","0.0006","90","","90","","90","","7963.8","0.3","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C93 H88 Ni2 O4 P4 -","- C93 H85 Ni2 O4 P4 -","- C372 H340 Ni8 O16 P16 -","4","0.5","","Ohashi, Masato; Taniguchi, Tomoaki; Ogoshi, Sensuke","[3 + 3] Cyclodimerization of Methylenecyclopropanes: Stoichiometric and Catalytic Reactions of Nickel(0) with Electron-Deficient Alkylidenecyclopropanes","Organometallics","2010","29","11","2386","","10.1021/om100317y","","","0.71075","MoKα","","0.0671","0.043","","","0.1073","0.117","","","","","","1.113","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4066172","21.024","0.002","16.831","0.005","25.894","0.006","90","","90","","90","","9163","4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49.5 H13 B Cl3 F25 -","- C49.5 H13 B Cl3 F25 -","- C396 H104 B8 Cl24 F200 -","8","1","","Fan, Cheng; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Divergent Reactivity of Perfluoropentaphenylborole with Alkynes§","Organometallics","2010","29","21","5132","","10.1021/om100334r","","","0.71073","MoKα","","0.1242","0.0736","","","0.1531","0.1852","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066247","29.7025","0.0011","9.454","0.0003","16.4829","0.0006","90","","90","","90","","4628.5","0.3","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H35 N2 O2 Y -","- C23 H35 N2 O2 Y -","- C184 H280 N16 O16 Y8 -","8","1","","Casely, Ian J.; Suh, YoungSung; Ziller, Joseph W.; Evans, William J.","Formation of a [ONN(allyl)O]−Anion via NO Insertion and Coupling Using Yttrium and Lanthanide Allyl Metallocenes†","Organometallics","2010","29","21","5209","","10.1021/om100364k","","","0.71073","MoKα","","0.0357","0.0261","","","0.0619","0.0659","","","","","","1.012","","","","has coordinates,has disorder","178554","2020-10-21","18:00:00",""
"4066562","32.81","0.007","20.945","0.005","17.91","0.004","90","","90","","90","","12308","5","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H64 Al2 N2 O4 -","- C40 H64 Al2 N2 O4 -","- C480 H768 Al24 N24 O48 -","12","1.5","","Darensbourg, Donald J.; Karroonnirun, Osit","Stereoselective Ring-Opening Polymerization ofrac-Lactides Catalyzed by Chiral and Achiral Aluminum Half-Salen Complexes†","Organometallics","2010","29","21","5627","","10.1021/om100518e","","","1.54178","CuKα","","0.1077","0.0873","","","0.2201","0.2348","","","","","","1.066","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066957","18.4784","0.0014","12.6296","0.0009","28.196","0.002","90","","90","","90","","6580.2","0.8","213","2","213","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H20 Au Fe Mn O8 P2 -","- C32 H20 Au Fe Mn O8 P2 -","- C256 H160 Au8 Fe8 Mn8 O64 P16 -","8","1","","Colson, Adam C.; Whitmire, Kenton H.","Synthesis, Characterization, and Reactivity of the Heterometallic Dinuclear μ-PH2and μ-PPhH Complexes FeMn(CO)8(μ-PH2) and FeMn(CO)8(μ-PPhH)‡","Organometallics","2010","29","20","4611","","10.1021/om100736m","","","0.71073","MoKα","","0.0431","0.0249","","","0.0551","0.0651","","","","","","1.111","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066958","16.774","0.003","16.969","0.003","15.385","0.002","90","","90","","90","","4379.2","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H10 Fe Mn O8 P -","- C20 H10 Fe Mn O8 P -","- C160 H80 Fe8 Mn8 O64 P8 -","8","1","","Colson, Adam C.; Whitmire, Kenton H.","Synthesis, Characterization, and Reactivity of the Heterometallic Dinuclear μ-PH2and μ-PPhH Complexes FeMn(CO)8(μ-PH2) and FeMn(CO)8(μ-PPhH)‡","Organometallics","2010","29","20","4611","","10.1021/om100736m","","","0.71073","MoKα","","0.1202","0.0441","","","0.0879","0.1172","","","","","","1.019","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067045","29.729","0.004","8.597","0.001","18.939","0.003","90","","90","","90","","4840.4","1.2","113","2","113","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18.5 H18 Cl Fe3 O7 P S2 -","- C18.5 H18 Cl Fe3 O7 P S2 -","- C148 H144 Cl8 Fe24 O56 P8 S16 -","8","1","","Song, Li-Cheng; Zhao, Pei-Hua; Du, Zong-Qiang; Tang, Ming-Yi; Hu, Qing-Mei","Unexpected Synthesis of Tetrahedral Fe/S Clusters via Highly Reactive Butterfly Intermediates (μ-HS)2Fe2(CO)5[RP(CH2OH)2]","Organometallics","2010","29","22","5751","","10.1021/om100793d","","","0.71075","MoKα","","0.0593","0.0556","","","0.1036","0.1052","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067060","26.006","0.006","13.287","0.003","14.461","0.003","90","","90","","90","","4996.9","1.9","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","jonll35b","","","- C24 H28 Cl F3 Ir N O2 -","- C24 H28 Cl F3 Ir N O2 -","- C192 H224 Cl8 F24 Ir8 N8 O16 -","8","1","","Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes","Organometallics","2010","29","20","4593","","10.1021/om100796q","","","0.71073","MoKα","","0.0371","0.0265","","","0.0564","0.0592","","","","","","1.058","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067061","25.927","0.006","13.338","0.003","14.438","0.003","90","","90","","90","","4992.9","1.9","100","0.1","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","jonll36b","","","- C24 H28 Cl F3 N O2 Rh -","- C24 H28 Cl F3 N O2 Rh -","- C192 H224 Cl8 F24 N8 O16 Rh8 -","8","1","","Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes","Organometallics","2010","29","20","4593","","10.1021/om100796q","","","0.71073","MoKα","","0.0619","0.0458","","","0.0895","0.0942","","","","","","1.089","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067241","16.7697","0.0005","16.1494","0.0005","25.9714","0.0008","90","","90","","90","","7033.6","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C73 H100 N8 O3 Zn4 -","- C73 H100 N8 O3 Zn4 -","- C292 H400 N32 O12 Zn16 -","4","0.5","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Wölper, Christoph","Synthesis, Structure, and Reactivity of a Tetranuclear Amidinato Zinc Hydride Complex","Organometallics","2010","29","22","6133","","10.1021/om100966d","","","0.71073","MoKα","","0.0352","0.0275","","","0.0666","0.0709","","","","","","1.036","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067249","27.4112","0.0005","18.2409","0.0003","22.5234","0.0004","90","","90","","90","","11261.8","0.3","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C63 H58 B Cl4 F4 O0.5 P2 Ru -","- C63 H58 B Cl4 F4 O0.5 P2 Ru -","- C504 H464 B8 Cl32 F32 O4 P16 Ru8 -","8","1","","Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen","Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group","Organometallics","2010","29","24","6829","","10.1021/om101017p","","","0.71073","MoKα","","0.0819","0.0513","","","0.1546","0.168","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067264","17.2935","0.0009","20.5469","0.0011","23.7107","0.0013","90","","90","","90","","8425.1","0.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C105 H96 B2 N2 O2 P2 -","- C105 H96 B2 N2 O2 P2 -","- C420 H384 B8 N8 O8 P8 -","4","0.5","","Ireland, Benjamin J.; Wheaton, Craig A.; Hayes, Paul G.","Cationic Organomagnesium Complexes as Highly Active Initiators for the Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2010","29","5","1079","","10.1021/om900669y","","","0.71073","MoKα","","0.0838","0.0466","","","0.1008","0.1183","","","","","","1.028","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067524","17.3301","0.0015","15.0454","0.0013","12.5834","0.0011","90","","90","","90","","3281","0.5","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H42 Cl3 Li2 N2 O4 Th -","- C28 H42 Cl3 Li2 N2 O4 Th -","- C112 H168 Cl12 Li8 N8 O16 Th4 -","4","0.5","","Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I.; Billone, Paul; Gambarotta, Sandro","Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species","Organometallics","2010","29","3","692","","10.1021/om900996n","","","0.71073","MoKα","","0.0561","0.0305","","","0.077","0.0907","","","","","","1.052","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067710","15.3935","0.0003","7.3366","0.0001","22.4051","0.0004","90","","90","","90","","2530.34","0.08","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H13 Cl F N Pt -","- C14 H13 Cl F N Pt -","- C112 H104 Cl8 F8 N8 Pt8 -","8","1","","Crosby, Sarah H.; Clarkson, Guy J.; Deeth, Robert J.; Rourke, Jonathan P.","Platinum(IV) DMSO Complexes: Synthesis, Isomerization, and Agostic Intermediates","Organometallics","2010","29","8","1966","","10.1021/om901087m","","","0.71073","MoKα","","0.0284","0.0176","","","0.0305","0.0317","","","","","","0.952","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4068293","15.1802","0.0005","11.6483","0.0003","19.6981","0.0006","90","","90","","90","","3483.09","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H31 I O2 P2 Pd -","- C42 H31 I O2 P2 Pd -","- C168 H124 I4 O8 P8 Pd4 -","4","0.5","","Lipke, Mark C.; Woloszynek, Robert A.; Ma, Liqing; Protasiewicz, John D.","m-Terphenyl Anchored Palladium Diphosphinite PCP-Pincer Complexes That Promote the Suzuki−Miyaura Reaction Under Mild Conditions","Organometallics","2009","28","1","188","","10.1021/om800626b","","","0.71073","MoKα","","0.0465","0.0288","","","0.0594","0.072","","","","","","1.15","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068853","24.124","0.0001","24.238","0.0001","24.665","0.0001","90","","90","","90","","14422.1","0.1","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C71 H113 N2 P4 Pd2 S2 -","- C71 H113 N2 P4 Pd2 S2 -","- C568 H904 N16 P32 Pd16 S16 -","8","1","","Mizuta, Tsutomu; Tanaka, Nobuyuki; Iwakuni, Yukiko; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Synthesis and Reactivity of Five-Membered P(V)-Phosphapalladacycles","Organometallics","2009","28","9","2808","","10.1021/om801130f","","","0.71069","MoKα","","0.0652","0.0483","","","0.1246","0.1342","","","","","","1.064","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068954","30.407","0.0003","24.515","0.0006","20.643","0.0007","90","","90","","90","","15387.9","0.7","230","0.1","230","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C79.62 H68.72 N3 P6 S6 Ti -","- C79.625 H56 N3 P6 S6 Ti -","- C637 H448 N24 P48 S48 Ti8 -","8","1","","Chen, Fapu; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.","Bis(imidodithiodiphosphinato) Titanium and Zirconium Complexes: Synthesis, Characterization, and Their Catalytic Activity in the Polymerization of α-Olefins","Organometallics","2009","28","8","2391","","10.1021/om801176a","","","0.7107","MoKα","","0.1973","0.0894","","","0.2311","0.276","","","","","","0.904","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4068991","32.287","0.004","8.8785","0.0011","21.7","0.003","90","","90","","90","","6220.5","1.4","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H57 N2 P2 Si Ti -","- C24 H57 N2 P2 Si Ti -","- C192 H456 N16 P16 Si8 Ti8 -","8","1","","Chomitz, Wayne A.; Sutton, Andrew D.; Krinsky, Jamin L.; Arnold, John","Synthesis and Reactivity of Titanium and Zirconium Complexes Supported by a Multidentate Monoanionic [N2P2] Ligand","Organometallics","2009","28","12","3338","","10.1021/om8011932","","","0.71073","MoKα","","0.0576","0.0397","","","0.1031","0.1132","","","","","","1.007","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069191","26.7399","0.0009","23.5236","0.0007","20.4693","0.0007","90","","90","","90","","12875.6","0.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H81 Cl2 N2 P Ru -","- C60 H81 Cl2 N2 P Ru -","- C480 H648 Cl16 N16 P8 Ru8 -","8","1","","Clavier, Hervé; Urbina-Blanco, César A.; Nolan, Steven P.","Indenylidene Ruthenium Complex Bearing a Sterically Demanding NHC Ligand: An Efficient Catalyst for Olefin Metathesis at Room Temperature","Organometallics","2009","28","9","2848","","10.1021/om900071t","","","0.71073","MoKα","","0.0668","0.0408","","","0.1115","0.1214","","","","","","1.046","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069380","11.6445","0.0001","21.8319","0.0002","24.5405","0.0002","90","","90","","90","","6238.72","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H38 F12 N6 P2 Ru -","- C24 H38 F12 N6 P2 Ru -","- C192 H304 F96 N48 P16 Ru8 -","8","1","","Wong, Chun-Yuen; Lai, Lo-Ming; Leung, Hung-Fan; Wong, Sze-Ho","Ruthenium(II) Isocyanide Complexes Supported by Triazacyclononane/Trithiacyclononane and Aromatic Diimine: Structural, Spectroscopic, and Theoretical Studies","Organometallics","2009","28","12","3537","","10.1021/om9001654","","","1.54178","CuKα","","0.0475","0.0427","","","0.1083","0.1115","","","","","","1.01","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069399","15.218","0.003","9.264","0.001","24.984","0.003","90","","90","","90","","3522.2","0.9","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H18 F N O Si -","- C19 H18 F N O Si -","- C152 H144 F8 N8 O8 Si8 -","8","1","","Troegel, Dennis; Möller, Frank; Burschka, Christian; Tacke, Reinhold","4-((2-Halogeno-5-pyridyl)dimethylsilyl)phenylboronic Acids: New Potential Building Blocks for the Synthesis of Silicon-Containing Drugs","Organometallics","2009","28","11","3218","","10.1021/om900175m","","","0.71073","MoKα","","0.0505","0.041","","","0.1143","0.1198","","","","","","1.066","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069737","10.6616","0.0006","17.4949","0.001","15.7215","0.0009","90","","90","","90","","2932.4","0.3","120","","120","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H46 Ir N O P2 -","- C30 H46 Ir N O P2 -","- C120 H184 Ir4 N4 O4 P8 -","4","0.5","","Whited, Matthew T.; Zhu, Yanjun; Timpa, Samuel D.; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.; Grubbs, Robert H.","Probing the C−H Activation of Linear and Cyclic Ethers at (PNP)Ir","Organometallics","2009","28","15","4560","","10.1021/om900395f","","","0.71073","MoKα","","0.0357","0.0298","","0.0637","0.0599","0.0637","","","","","","1.0847","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070093","19.112","0.0016","7.1497","0.0006","18.9027","0.0015","90","","90","","90","","2583","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H14 Br N S -","- C13 H14 Br N S -","- C104 H112 Br8 N8 S8 -","8","1","","Ménard, Gabriel; Jong, Howard; Fryzuk, Michael D.","Synthesis and Characterization of a New Thiophene-Bridged Diamidophosphine [NPN] Donor Set and Its Coordination Chemistry with Zirconium(IV): Unexpected Deprotonation−Lithiation Sequence with a Mesitylaminothiophene Precursor","Organometallics","2009","28","17","5253","","10.1021/om900612n","","","0.71073","MoKα","","0.0401","0.0265","","","0.0603","0.0655","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070193","17.367","0.006","10.135","0.004","15.258","0.005","90","","90","","90","","2685.6","1.7","103.15","","103","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H30 N2 P2 -","- C32 H30 N2 P2 -","- C128 H120 N8 P8 -","4","0.5","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0471","0.0433","","","0.0903","0.0922","","","","","","1.16","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070201","14.5417","0.0003","10.0118","0.0003","28.9647","0.0006","90","","90","","90","","4216.93","0.18","296.1","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H60 Cr2 Mo N4 O2 P4 -","- C40 H60 Cr2 Mo N4 O2 P4 -","- C160 H240 Cr8 Mo4 N16 O8 P16 -","4","0.5","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Preparation and Protonation of Tungsten- and Molybdenum-Dinitrogen Complexes Bearing Bis(dialkylphosphinobenzene)chromiums as Auxiliary Ligands","Organometallics","2009","28","19","5821","","10.1021/om9006467","","","0.71075","MoKα","","","0.0266","","","","0.0635","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070269","33.381","0.004","8.7353","0.0011","21.005","0.003","90","","90","","90","","6124.9","1.4","133","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H51 Cr N2 O2 P2 Si -","- C24 H51 Cr N2 O2 P2 Si -","- C192 H408 Cr8 N16 O16 P16 Si8 -","8","1","","Rozenel, Sergio S.; Chomitz, Wayne A.; Arnold, John","Chromium Complexes Supported by the Multidentate Monoanionic N2P2Ligand: Reduction Chemistry and Reactivity with Ethylene","Organometallics","2009","28","21","6243","","10.1021/om900695s","","","0.71073","MoKα","","0.0714","0.0475","","","0.1034","0.1117","","","","","","1.081","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070306","11.322","0.0014","17.025","0.002","14.8474","0.0019","90","","90","","90","","2861.9","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H36 P2 Pt Si -","- C30 H36 P2 Pt Si -","- C120 H144 P8 Pt4 Si4 -","4","0.5","","Nakajima, Yumiko; Hou, Zhaomin","Rare-Earth-Metal/Platinum Heterobinuclear Complexes Containing Reactive Ln-alkyl groups (Ln = Y, Lu): Synthesis, Structural Characterization, and Reactivity","Organometallics","2009","28","24","6861","","10.1021/om900702y","","","0.71069","MoKα","","0.0681","0.0565","","","0.1227","0.1295","","","","","","1.196","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070582","11.8636","0.0009","22.2177","0.0017","12.4686","0.0009","90","","90","","90","","3286.5","0.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H50 Cl2 N4 Rh2 -","- C32 H50 Cl2 N4 Rh2 -","- C128 H200 Cl8 N16 Rh8 -","4","0.5","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0558","0.0509","","","0.1161","0.1183","","","","","","1.283","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070656","32.313","0.005","9.3004","0.0013","22.451","0.004","90","","90","","90","","6747.1","1.9","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H46 Fe N3 -","- C34 H46 Fe N3 -","- C272 H368 Fe8 N24 -","8","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.1057","0.0794","","","0.206","0.2215","","","","","","1.052","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070713","42.049","0.004","12.9598","0.0011","19.6423","0.0017","90","","90","","90","","10704","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H65 N3 P Rh Si4 Sn -","- C53 H65 N3 P Rh Si4 Sn -","- C424 H520 N24 P8 Rh8 Si32 Sn8 -","8","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0844","0.0554","","","0.1259","0.1366","","","","","","1.022","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070789","15.9678","0.0015","11.0432","0.0008","19.2699","0.0015","90","","90","","90","","3398","0.5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H54 N4 O2 Sr -","- C34 H54 N4 O2 Sr -","- C136 H216 N16 O8 Sr4 -","4","0.5","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0862","0.0466","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070790","15.5788","0.001","11.1267","0.0007","19.8676","0.0011","90","","90","","90","","3443.9","0.4","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H54 Ba N4 O2 -","- C34 H54 Ba N4 O2 -","- C136 H216 Ba4 N16 O8 -","4","0.5","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0368","0.0252","","","0.0643","0.0678","","","","","","1.001","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070973","8.8297","0.0002","27.9592","0.0006","18.1044","0.0004","90","","90","","90","","4469.46","0.17","151.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H46 N4 O3 Pd Si2 -","- C49 H46 N4 O3 Pd Si2 -","- C196 H184 N16 O12 Pd4 Si8 -","4","0.5","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Alkyl and Hydrido Complexes of Platinum(IV) Supported by the Bis(8-quinolyl)methylsilyl Ligand","Organometallics","2008","27","10","2223","","10.1021/om701162h","","","0.7107","MoKα","","0.0985","0.0468","","0.0705","","0.0604","","","","","","1.363","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071136","13.271","0.003","6.9263","0.0016","15.256","0.004","90","","90","","90","","1402.3","0.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 Mo S2 -","- C14 H20 Mo S2 -","- C56 H80 Mo4 S8 -","4","0.5","","Kuo, Louis Y.; Adint, Tyler T.; Akagi, Allison E.; Zakharov, Lev","Degradation of a VX Analogue: First Organometallic Reagent To Promote Phosphonothioate Hydrolysis Through Selective P−S Bond Scission","Organometallics","2008","27","11","2560","","10.1021/om7012887","","","0.71073","MoKα","","0.0536","0.0318","","","0.0595","0.0696","","","","","","1.015","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071337","21.604","0.004","31.37","0.006","23.903","0.004","90","","90","","90","","16199","5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H42 Cl6 P2 -","- C56 H40 P2 -","- C672 H480 P24 -","12","1.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0863","0.0646","","","0.1745","0.1855","","","","","","1.083","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071686","28.8668","0.0005","23.9088","0.0005","22.9488","0.0003","90","","90","","90","","15838.6","0.5","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","platinum diphosphene bis(triphenylphosphine)","","- C76 H105 Fe P4 Pt Si6 -","- C76 H105 Fe P4 Pt Si6 -","- C608 H840 Fe8 P32 Pt8 Si48 -","8","1","","Nagahora, Noriyoshi; Sasamori, Takahiro; Tokitoh, Norihiro","A Ferrocenyldiphosphene−Platinum Complex: Structural Features and Theoretical Calculations","Organometallics","2008","27","16","4265","","10.1021/om800315q","","","0.71069","MoKα","","0.0488","0.0236","","","0.057","0.0941","","","","","","1.023","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071833","18.0407","0.0007","13.7759","0.0005","22.9357","0.0008","90","","90","","90","","5700.1","0.4","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H41 Cl5 P Ru2 -","- C22 H41 Cl5 P Ru2 -","- C176 H328 Cl40 P8 Ru16 -","8","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.1179","0.0738","","","0.1272","0.1439","","","","","","1.182","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4072182","34.32","0.02","14.82","0.01","14.379","0.009","90","","90","","90","","7313","8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H41 F6 Mo N O8.5 S2 -","- C26 H41 F6 Mo N O8.5 S2 -","- C208 H328 F48 Mo8 N8 O68 S16 -","8","1","","Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.","Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes","Organometallics","2008","27","19","5130","","10.1021/om800650v","","x-ray","0.71073","MoKα","","0.1898","0.1401","","","0.2882","0.3081","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072410","18.9303","0.0013","23.0165","0.0015","19.0849","0.0013","90","","90","","90","","8315.5","1","453","2","453","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H63 B F N -","- C45 H63 B F N -","- C360 H504 B8 F8 N8 -","8","1","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.0583","0.0465","","","0.1228","0.1337","","","","","","1.033","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072524","25.253","0.002","9.487","0.001","22.63","0.002","90","","90","","90","","5421.6","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","bis[2,4-di(1,1-dimethyl-1-ethyl)-6-[[(pentafluorophenyl)imino-κN] methyl]-phenolato-κO]bis(phenylmethyl)hafnium(IV)","","- C54 H55 F10 Hf N2 O3.5 -","- C54 H55 F10 Hf N2 O3.5 -","- C216 H220 F40 Hf4 N8 O14 -","4","0.5","","Axenov, Kirill V.; Klinga, Martti; Lehtonen, Olli; Koskela, Harri T.; Leskelä, Markku; Repo, Timo","Hafnium Bis(phenoxyimino) Dibenzyl Complexes and Their Activation toward Olefin Polymerization","Organometallics","2007","26","6","1444","","10.1021/om060753f","","","0.71073","MoKα","","0.072","0.049","","","0.1037","0.1093","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072654","9.8155","0.0011","17.606","0.002","12.2382","0.0014","90","","90","","90","","2114.9","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H26 Cl O P2 Rh -","- C21 H26 Cl O P2 Rh -","- C84 H104 Cl4 O4 P8 Rh4 -","4","0.5","","Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer","Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis","Organometallics","2007","26","3","713","","10.1021/om060912v","","","0.71073","MoKα","","0.0377","0.0273","","","0.0754","0.0868","","","","","","0.665","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072742","16.0682","0.0005","12.2876","0.0004","42.34","0.001","90","","90","","90","","8359.6","0.4","120","1","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H43 F9 Fe P3 -","- C45 H43 F9 Fe P3 -","- C360 H344 F72 Fe8 P24 -","8","1","","Paul, Frédéric; da Costa, Grégory; Bondon, Arnaud; Gauthier, Nicolas; Sinbandhit, Sourisak; Toupet, Loic; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Spin Delocalization in Electron-Rich Iron(III) Piano-Stool σ-Acetylides. An Experimental (NMR) and Theoretical (DFT) Investigation","Organometallics","2007","26","4","874","","10.1021/om060989j","","","0.71073","MoKα","","0.109","0.065","","","0.1551","0.1648","","","","","","1.05","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072931","16.794","0.003","30.921","0.005","15.991","0.003","90","","90","","90","","8304","3","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44.5 H62.5 N4 Sm -","- C43 H59 N4 Sm -","- C344 H472 N32 Sm8 -","8","1","","Frey, Alistair S. P.; Gardiner, Michael G.; Stringer, Damien N.; Yates, Brian F.; George, Adrian V.; Jensen, Paul; Turner, Peter","Buckling under Strain: Relief of Steric Pressure Occurs Differently for Samarium(III) Porphyrinogen Complexes of the π-Bound Auxiliary Ligands Cyclopentadienyl and Cyclooctatetraenediyl","Organometallics","2007","26","6","1299","","10.1021/om061143i","","","0.71073","MoKα","","0.0665","0.0374","","","0.0843","0.0913","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072956","16.177","0.004","11.491","0.003","8.4265","0.0019","90","","90","","90","","1566.4","0.7","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 Bi Br2 N2 -","- C12 H19 Bi Br2 N2 -","- C48 H76 Bi4 Br8 N8 -","4","0.5","","Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C.","Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides","Organometallics","2007","26","5","1196","","10.1021/om0611608","","","0.71073","MoKα","","0.0427","0.034","","","0.0828","0.0868","","","","","","1.111","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072957","16.278","0.003","11.848","0.002","8.8883","0.0016","90","","90","","90","","1714.2","0.5","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 Bi I2 N2 -","- C12 H19 Bi I2 N2 -","- C48 H76 Bi4 I8 N8 -","4","0.5","","Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C.","Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides","Organometallics","2007","26","5","1196","","10.1021/om0611608","","","0.71073","MoKα","","0.0286","0.0245","","","0.0469","0.0482","","","","","","1.138","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073189","33.508","0.0002","12.132","0.0002","12.375","0.0006","90","","90","","90","","5030.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P b c n","-P 2n 2ab","60","","","","- C24 H40 Si2 Ti -","- C24 H40 Si2 Ti -","- C192 H320 Si16 Ti8 -","8","1","","Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Lönnecke, Peter; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Effect of the Trimethylsilyl Substituent on the Reactivity of Permethyltitanocene","Organometallics","2007","26","13","3100","","10.1021/om070159l","","","0.71073","MoKα","","0.0497","0.0388","","","0.0912","0.096","","","","","","1.08","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073216","16.4213","0.0013","12.2471","0.001","16.9408","0.0014","90","","90","","90","","3407","0.5","163","2","163","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H56 N2 O Sm -","- C34 H56 N2 O Sm -","- C136 H224 N8 O4 Sm4 -","4","0.5","","Evans, William J.; Montalvo, Elizabeth; Foster, Samuel E.; Harada, Kimberly A.; Ziller, Joseph W.","Reactivity of (C5Me5)2Sm(THF)2with Nitriles: C−C Bond Cleavage To Form Cyanide Complexes","Organometallics","2007","26","11","2904","","10.1021/om070176a","","","0.71073","MoKα","","0.048","0.0262","","","0.0594","0.0732","","","","","","1.172","","","","has coordinates,has disorder","178621","2020-10-21","18:00:00",""
"4073425","15.8883","0.0017","17.6831","0.0019","29.505","0.003","90","","90","","90","","8289.6","1.5","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H118 O Zn2 Zr -","- C86 H118 O Zn2 Zr -","- C344 H472 O4 Zn8 Zr4 -","4","0.5","","Wang, Yuzhong; Quillian, Brandon; Wannere, Chaitanya S.; Wei, Pingrong; Schleyer, Paul v. R.; Robinson, Gregory H.","A Trimetallic Compound Containing Zn−Zr Bonds: Cp2Zr(ZnR)2(Cp = C5H5; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2007","26","12","3054","","10.1021/om700319k","","","0.71073","MoKα","","0.1236","0.0654","","","0.1782","0.2304","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4073601","11.7981","0.0003","11.0902","0.0002","21.1619","0.0005","90","","90","","90","","2768.89","0.11","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H50 N2 Pt -","- C31 H50 N2 Pt -","- C124 H200 N8 Pt4 -","4","0.5","","Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes","Organometallics","2007","26","19","4800","","10.1021/om7004904","","","0.71073","MoKα","","0.0326","0.0224","","","0.0451","0.049","","","","","","1.051","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073684","11.816","0.002","14.413","0.003","20.729","0.004","90","","90","","90","","3530.2","1.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","tetramesityldigemene","","","- C40 H52 Ge2 O -","- C40 H52 Ge2 O -","- C160 H208 Ge8 O4 -","4","0.5","","Hurni, Krysten L.; Rupar, Paul A.; Payne, Nicholas C.; Baines, Kim M.","On the Synthesis, Structure, and Reactivity of Tetramesityldigermene","Organometallics","2007","26","23","5569","","10.1021/om7005358","","x-ray","0.71073","MoKα","","0.0825","0.0565","","","0.1582","0.1778","","","","","","1.058","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073833","13.728","0.003","7.05","0.002","13.559","0.003","90","","90","","90","","1312.3","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H8 Cu2 N2 O5 -","- C13 H8 Cu2 N2 O5 -","- C52 H32 Cu8 N8 O20 -","4","0.5","","Liang, Fu-Pei; Qin, Su-Ni; Jiang, Chun-Fang; Zhang, Zhong; Chen, Zi-Lu","Organic-Ligand-Supported Two-Dimensional Carbonyl-Bridged Copper(I) Polymers","Organometallics","2007","26","19","4839","","10.1021/om700662h","","","0.71073","MoKα","","0.061","0.0328","","","0.0746","0.09","","","","","","0.999","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073958","16.3658","0.0009","16.2298","0.0009","18.0422","0.001","90","","90","","90","","4792.3","0.5","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H32 Cl4 Fe O10 Os3 P2 -","- C46 H32 Cl4 Fe O10 Os3 P2 -","- C184 H128 Cl16 Fe4 O40 Os12 P8 -","4","0.5","","Begum, Noorjahan; Das, Uttam K.; Hassan, Manzur; Hogarth, Graeme; Kabir, Shariff E.; Nordlander, Ebbe; Rahman, Mohammad A.; Tocher, Derek A.","Chelate and Bridge Diphosphine Isomerization: Triosmium and Triruthenium Clusters Containing 1,1‘-Bis(diphenylphosphino)ferrocene (dppf)","Organometallics","2007","26","25","6462","","10.1021/om700759z","","","0.71073","MoKα","","0.0327","0.0296","","","0.0666","0.0683","","","","","","1.013","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074056","29.6172","0.0015","9.6056","0.0005","16.3161","0.0008","90","","90","","90","","4641.8","0.4","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H20 Cl2 N3 O Pt S -","- C22 H20 Cl2 N3 O Pt S -","- C176 H160 Cl16 N24 O8 Pt8 S8 -","8","1","","Fantasia, Serena; Petersen, Jeffrey L.; Jacobsen, Heiko; Cavallo, Luigi; Nolan, Steven P.","Electronic Properties of N-Heterocyclic Carbene (NHC) Ligands: Synthetic, Structural, and Spectroscopic Studies of (NHC)Platinum(II) Complexes","Organometallics","2007","26","24","5880","","10.1021/om700857j","","","0.71073","MoKα","","0.0544","0.0406","","","0.0906","0.0977","","","","","","1.131","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074060","20.0286","0.0008","10.1606","0.0004","18.8389","0.0008","90","","90","","90","","3833.8","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H42 N4 O4 Pd -","- C46 H42 N4 O4 Pd -","- C184 H168 N16 O16 Pd4 -","4","0.5","","Huynh, Han Vinh; Jothibasu, Ramasamy; Koh, Lip Lin","Dipalladium Bis(μ-isopropylthiolato) Complexes with a [Pd2S2] Core Supported by N-Heterocyclic Carbenes","Organometallics","2007","26","27","6852","","10.1021/om700867e","","","0.71073","MoKα","","0.0914","0.0855","","","0.158","0.1605","","","","","","1.332","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074276","11.6652","0.0007","14.2846","0.0009","30.317","0.0019","90","","90","","90","","5051.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H26 I N3 -","- C29 H26 I N3 -","- C232 H208 I8 N24 -","8","1","","Song, Zhiquan; Li, Yuxue; Liu, Meina; Cong, Liqing; Liu, Yuanhong","Regio- and Stereoselective Coupling of Heteroaryl-Substituted Alkynes: New Insights into the Mechanism of Zirconium-Mediated Cyclodimerization of Alkynes and a Facile Route to 3-Methylenecyclobutenes","Organometallics","2006","25","21","5035","","10.1021/om060505j","","","0.71073","MoKα","","0.0773","0.0438","","","0.0881","0.0958","","","","","","0.85","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074444","12.9263","0.0007","14.6453","0.0008","13.9515","0.0005","90","","90","","90","","2641.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 I N2 U -","- C24 H36 I N2 U -","- C96 H144 I4 N8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0545","0.0367","","","0.1024","0.1164","","","","","","0.973","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074525","11.9538","0.0007","24.4189","0.0017","23.581","0.0016","90","","90","","90","","6883.3","0.8","243","2","243","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H40 N O2 P3 W -","- C27 H40 N O2 P3 W -","- C216 H320 N8 O16 P24 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.1517","0.0599","","","0.1586","0.1892","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074600","25.544","0.001","18.742","0.0008","27.641","0.001","90","","90","","90","","13233","0.9","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H39 Mo N3 Si2 -","- C34 H39 Mo N3 Si2 -","- C544 H624 Mo16 N48 Si32 -","16","2","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0681","0.0355","","","0.0687","0.0836","","","","","","1.076","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074654","13.153","0.0012","16.0334","0.0014","32.836","0.003","90","","90","","90","","6924.7","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16.5 H13 Cl I2 Pt -","- C16.5 H13 Cl I2 Pt -","- C264 H208 Cl16 I32 Pt16 -","16","2","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0663","0.0464","","","0.0969","0.1061","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074707","15.935","0.003","17.504","0.003","29.098","0.005","90","","90","","90","","8116","2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 Ga Ti0.5 -","- C41 H54 Ga Ti0.5 -","- C328 H432 Ga8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0773","0.0502","","","0.1394","0.1748","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074708","15.7984","0.0008","17.7455","0.0009","29.5189","0.0015","90","","90","","90","","8275.6","0.7","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Ti0.5 -","- C41 H54 In Ti0.5 -","- C328 H432 In8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0678","0.049","","","0.1564","0.1999","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074709","15.6959","0.0015","17.7203","0.0017","29.497","0.003","90","","90","","90","","8204.2","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Zr0.5 -","- C41 H54 In Zr0.5 -","- C328 H432 In8 Zr4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0741","0.0423","","","0.1052","0.1333","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074757","10.48","0.002","16.344","0.003","22.31","0.004","90","","90","","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H62 Al2 O4 Si4 -","- C24 H62 Al2 O4 Si4 -","- C96 H248 Al8 O16 Si16 -","4","0.5","","Veith, Michael; Frères, Jacqueline; Huch, Volker; Zimmer, Michael","Synthesis and Characterization of Novel Siloxyalanes","Organometallics","2006","25","8","1875","","10.1021/om0508637","","","0.71073","MoKα","","0.0802","0.0661","","","0.151","0.1621","","","","","","1.084","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074832","15.6677","0.001","21.4096","0.0014","32.52","0.002","90","","90","","90","","10908.5","1.2","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56.75 H51.75 Cl5 N4 O4 P2 Pd -","- C51 H39 Cl N4 O4 P2 Pd -","- C408 H312 Cl8 N32 O32 P16 Pd8 -","8","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0491","0.0406","","","0.1138","0.1182","","","","","","1.038","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074897","13.576","0.0009","8.0012","0.0005","16.4807","0.0011","90","","90","","90","","1790.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","8","Bis[N-(cyclopentylideneimino)acetimidato-N,O]dimethylsilicon(IV)","","- C16 H28 N4 O2 Si -","- C16 H28 N4 O2 Si -","- C64 H112 N16 O8 Si4 -","4","0.5","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.042","0.0402","","","0.1028","0.1039","","","","","","1.109","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4075264","15.941","0.001","17.114","0.001","13.24","0.001","90","0.05","90","0.05","90","0.05","3612.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H34 I2 N6 O2 Pd -","- C38 H34 I2 N6 O2 Pd -","- C152 H136 I8 N24 O8 Pd4 -","4","0.5","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.7107","MoKα","","0.1393","0.0464","","","0.0942","0.1209","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075267","20.628","0.003","18.05","0.003","20.269","0.003","90","","90","","90","","7547","2","125","2","125","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H59 Cl N3 Si2 Ti -","- C35 H59 Cl N3 Si2 Ti -","- C280 H472 Cl8 N24 Si16 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0651","0.0331","","","0.0746","0.0854","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075313","9.029","0.002","15.964","0.001","14.56","0.001","90","","90","","90","","2098.7","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Et2-imyAgCl","","","- C14 H24 Ag2 Cl2 N4 -","- C14 H24 Ag2 Cl2 N4 -","- C56 H96 Ag8 Cl8 N16 -","4","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0684","0.054","","","0.133","0.1455","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075371","14.9444","0.0002","11.6289","0.0002","19.7745","0.0003","90","","90","","90","","3436.55","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H31 Br O2 P2 Pd -","- C42 H31 Br O2 P2 Pd -","- C168 H124 Br4 O8 P8 Pd4 -","4","0.5","","Ma, Liqing; Woloszynek, Robert A.; Chen, Weizhong; Ren, Tong; Protasiewicz, John D.","A New Twist on Pincer Ligands and Complexes","Organometallics","2006","25","14","3301","","10.1021/om060256z","","","0.71073","MoKα","","0.0677","0.0362","","","0.0774","0.0885","","","","","","1.018","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075751","20.7065","0.0009","14.4762","0.0008","22.2356","0.0009","90","","90","","90","","6665.2","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C280 H376 N24 Ru16 -","8","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1063","0.0519","","","0.1058","0.1209","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075831","13.03","0.002","17.639","0.003","20.807","0.004","90","","90","","90","","4782.2","1.4","110","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","4,5-Dilithio-9,9-dimethylxanthene-1.5(tmeda)","","","- C48 H72 Li4 N6 O2 -","- C48 H72 Li4 N6 O2 -","- C192 H288 Li16 N24 O8 -","4","0.5","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.0733","0.0493","","","0.1329","0.1542","","","","","","1.067","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4076189","17.0221","0.0011","14.0448","0.0009","17.2731","0.0011","90","","90","","90","","4129.5","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Ag Cl N2 -","- C21 H24 Ag Cl N2 -","- C168 H192 Ag8 Cl8 N16 -","8","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71069","MoKα","","0.0547","0.0403","","","0.1217","0.1334","","","","","","1.032","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076311","22.7359","0.0011","16.9398","0.0008","14.8727","0.0006","90","","90","","90","","5728.1","0.5","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H40 Cl Cr N2 O0.5 -","- C31 H40 Cl Cr N2 O0.5 -","- C248 H320 Cl8 Cr8 N16 O4 -","8","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.1368","0.1007","","","0.2645","0.2876","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076477","15.3988","0.0009","8.198","0.0004","16.2972","0.001","90","","90","","90","","2057.3","0.2","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","0.5","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.065","0.0482","","","0.1543","0.161","","","","","","1.067","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4077249","10.1296","0.0005","15.5105","0.0007","19.7311","0.0009","90","","90","","90","","3100.1","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H48 Al2 N4 P2 S2 -","- C20 H48 Al2 N4 P2 S2 -","- C80 H192 Al8 N16 P8 S8 -","4","0.5","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.1135","0.078","","","0.2055","0.2357","","","","","","1.162","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077383","17.0844","0.0019","20.056","0.002","18.066","0.002","90","","90","","90","","6190.2","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H46 F24 Li O4 Y -","- C60 H46 F23.982 Li O4 Y -","- C240 H184 F95.928 Li4 O16 Y4 -","4","0.5","","Gendron, Roland A. L.; Berg, David J.; Shao, Pengcheng; Barclay, Tosha","Cyclopentadienyl Yttrium Complexes Bearing a Fluorinated Aryloxide Functionality","Organometallics","2001","20","20","4279","","10.1021/om0104520","","","0.71073","MoKα","","0.091","0.0546","","","0.1596","0.1786","","","","","","0.991","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00",""
"4077397","23.328","0.002","10.1925","0.0009","19.3464","0.0017","90","","90","","90","","4600","0.7","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl N2 Ta -","- C26 H34 Cl N2 Ta -","- C208 H272 Cl8 N16 Ta8 -","8","1","","Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Metallaaziridine Complexes of Tantalum Derived from 1,8-Bis(isopropylamino)naphthalene via β-H Activation","Organometallics","2001","20","20","4129","","10.1021/om0105167","","","0.71073","MoKα","","0.1123","0.0498","","","0.109","0.1283","","","","","","1.015","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4078555","29.1592","0.0009","18.3368","0.0006","17.0683","0.0005","90","","90","","90","","9126.2","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H53 Cl Ir N2 O2 P -","- C52 H53 Cl Ir N2 O2 P -","- C416 H424 Cl8 Ir8 N16 O16 P8 -","8","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71073","MoKα","","0.0392","0.0234","","","0.0465","0.0511","","","","","","1.011","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078573","13.048","0.004","9.249","0.003","20.362","0.006","90","","90","","90","","2457.3","1.3","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H36 B Cl N2 -","- C27 H36 B Cl N2 -","- C108 H144 B4 Cl4 N8 -","4","0.5","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0905","0.0874","","","0.1613","0.1625","","","","","","1.234","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078578","30.301","0.0011","8.902","0.0004","15.8361","0.0004","90","","90","","90","","4271.6","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 Au Cl N2 -","- C22 H28 Au Cl N2 -","- C176 H224 Au8 Cl8 N16 -","8","1","","Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.","Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands","Organometallics","2012","31","11","4118","","10.1021/om300351s","","","0.71073","MoKα","","0.0847","0.0582","","","0.1068","0.1169","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078915","19.7128","0.0003","21.4914","0.0003","13.9542","0.0002","90","","90","","90","","5911.78","0.15","200","","200","","","","","","","","from RMITU","6","P b c n","-P 2n 2ab","60","","","","- C64 H56 F8 N2 P2 Pd2 -","- C64 H56 F8 N2 P2 Pd2 -","- C256 H224 F32 N8 P8 Pd8 -","4","0.5","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0538","0.0267","","0.1278","0.0869","0.1278","","","","","","0.9409","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079023","22.5843","0.001","15.7763","0.0007","27.2441","0.0013","90","","90","","90","","9707","0.8","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H78 N3 Nd O3.5 Si2 -","- C44 H74 N3 Nd O3.5 Si2 -","- C352 H592 N24 Nd8 O28 Si16 -","8","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1035","0.0901","","","0.1844","0.1916","","","","","","1.258","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079091","12.033","0.001","17.858","0.002","19.729","0.002","90","","90","","90","","4239.5","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","01367","","","- C30 H74 Mn N2 Si6 -","- C30 H58 Mn N2 Si6 -","- C120 H232 Mn4 N8 Si24 -","4","0.5","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0688","0.06","","","0.1628","0.1686","","","","","","0.99","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079278","14.4781","0.0008","15.6757","0.0008","15.4845","0.0008","90","","90","","90","","3514.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H28 F12 N8 P2 Pd2 -","- C28 H28 F12 N8 P2 Pd2 -","- C112 H112 F48 N32 P8 Pd8 -","4","0.5","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.0945","0.0734","","","0.2021","0.2233","","","","","","1.11","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079463","13.905","0.003","15.981","0.004","16.323","0.004","90","","90","","90","","3627.2","1.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H38 Cl4 N2 O4 Zr -","- C37 H38 Cl4 N2 O4 Zr -","- C148 H152 Cl16 N8 O16 Zr4 -","4","0.5","","Shi, Xiao-Chao; Jin, Guo-Xin","Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization","Organometallics","2012","31","20","7198","","10.1021/om3007568","","","0.71073","MoKα","","0.1164","0.1046","","","0.2481","0.2525","","","","","","1.356","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079790","10.954","0.002","12.75","0.003","20.977","0.004","90","","90","","90","","2929.7","1","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H46 Si8 -","- C16 H46 Si8 -","- C64 H184 Si32 -","4","0.5","","Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph; Ottosson, Henrik","Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes","Organometallics","2013","32","2","396","","10.1021/om3006678","","","0.71073","MoKα","","0.0308","0.0288","","","0.0749","0.0761","","","","","","1.111","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079866","24.2825","0.0007","13.4727","0.0004","13.9714","0.0004","90","","90","","90","","4570.8","0.2","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H20 Cu F6 N6 P -","- C21 H20 Cu F6 N6 P -","- C168 H160 Cu8 F48 N48 P8 -","8","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0472","0.0359","","","0.089","0.0971","","","","","","1.057","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4080255","11.6336","0.0005","19.3358","0.0007","15.0814","0.0007","90","","90","","90","","3392.5","0.2","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 Ga N2 Sm -","- C36 H52 Ga N2 Sm -","- C144 H208 Ga4 N8 Sm4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0745","0.0381","","","0.0841","0.0986","","","","","","1.021","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080256","11.9097","0.0002","19.0579","0.0004","15.1619","0.0003","90","","90","","90","","3441.36","0.11","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 In N2 Sm -","- C36 H52 In N2 Sm -","- C144 H208 In4 N8 Sm4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0743","0.0346","","","0.058","0.0677","","","","","","1.039","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080388","11.0828","0.0013","12.9661","0.0016","15.6133","0.0019","90","","90","","90","","2243.6","0.5","100","","100","","","","","","","","tetrahydrofuran","6","P b c n","-P 2n 2ab","60","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazadodeca-1,11-diene-6-yne-nickel","","- C24 H28 N2 Ni O4 S2 -","- C24 H28 N2 Ni O4 S2 -","- C96 H112 N8 Ni4 O16 S8 -","4","0.5","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.0276","0.0246","","","0.072","0.0736","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080430","11.947","0.004","19.428","0.006","16.674","0.005","90","","90","","90","","3870","2","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H30 Fe Si2 -","- C19 H30 Fe Si2 -","- C152 H240 Fe8 Si16 -","8","1","","Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo","Disilametallacycles as a Platform for Stabilizing M(II) and M(IV) (M = Fe, Ru) Centers: Synthesis and Characterization of Half-Sandwich Complexes and Their Application to Catalytic Double Silylation of Alkenes and Alkynes","Organometallics","2013","32","7","2112","","10.1021/om3012322","","","0.71075","MoKα","","","0.0545","","","","0.1843","","","","","","1.006","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080482","27.5566","0.0019","14.5109","0.0009","9.9159","0.0006","90","","90","","90","","3965.1","0.4","100","2","100.02","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H40 Cl6 S4 Si -","- C37 H40 Cl6 S4 Si -","- C148 H160 Cl24 S16 Si4 -","4","0.5","","Carroll, James B.; Braddock-Wilking, Janet","Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations","Organometallics","2013","32","6","1905","","10.1021/om400022f","","","0.71073","MoKα","","0.0839","0.0606","","","0.1428","0.1561","","","","","","1.061","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080529","24.8348","0.0012","28.6396","0.0012","8.5557","0.0003","90","","90","","90","","6085.3","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,6-iPr2LNiCl2(CH3CN)","acetonitrile dichloro(2,6-bis{1-[(2-isopropylphenyl)-imino]ethyl}pyridine)nickel(II)","","- C29.5 H34.75 Cl2 N4.25 Ni -","- C29.5 H34 Cl2 N4.25 Ni -","- C236 H272 Cl16 N34 Ni8 -","8","1","","Antonov, Artem A.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Formation of Cationic Intermediates upon the Activation of Bis(imino)pyridine Nickel Catalysts","Organometallics","2013","32","7","2187","","10.1021/om400061p","","x-ray","0.71073","MoKα","","0.0851","0.0519","","","0.1615","0.1864","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080674","36.604","0.003","6.9477","0.0006","23.434","0.002","90","","90","","90","","5959.6","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H33 Br N4 O4 Pt -","- C31 H33 Br N4 O4 Pt -","- C248 H264 Br8 N32 O32 Pt8 -","8","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Photoswitchable Organoplatinum(IV) Complexes","Organometallics","2013","32","9","2552","","10.1021/om4000314","","","0.71073","MoKα","","0.0451","0.0371","","","0.0783","0.0808","","","","","","1.271","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4081122","20.524","0.004","8.5533","0.0017","16.881","0.003","90","","90","","90","","2963.4","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H38 Cl2 N4 Zr -","- C26 H38 Cl2 N4 Zr -","- C104 H152 Cl8 N16 Zr4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1366","0.0492","","","0.1162","0.1419","","","","","","0.985","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081366","28.1406","0.0008","9.4389","0.0003","19.7762","0.0006","90","","90","","90","","5252.9","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H30 F3 N3 O4 Pd S -","- C23 H30 F3 N3 O4 Pd S -","- C184 H240 F24 N24 O32 Pd8 S8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0459","0.0306","","","0.0601","0.0673","","","","","","1.149","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081492","17.9016","0.0008","7.908","0.0003","12.1015","0.0006","90","","90","","90","","1713.16","0.13","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H28 Fe N2 -","- C20 H28 Fe N2 -","- C80 H112 Fe4 N8 -","4","0.5","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0394","0.0299","","","0.0699","0.0759","","","","","","1.047","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081978","17.1241","0.0008","8.6582","0.0004","15.3892","0.0007","90","","90","","90","","2281.66","0.18","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C29 H28 N2 -","- C29 H28 N2 -","- C116 H112 N8 -","4","0.5","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0712","0.0441","","","0.1026","0.117","","","","","","1.019","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082091","16.335","0.003","17.757","0.003","14.878","0.003","90","","90","","90","","4315.5","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H63 Cl2 Lu N2 O3 -","- C43 H63 Cl2 Lu N2 O3 -","- C172 H252 Cl8 Lu4 N8 O12 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0506","0.0283","","","0.0639","0.076","","","","","","1.087","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082092","16.431","0.005","17.865","0.006","14.908","0.005","90","","90","","90","","4376","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H63 Cl2 N2 O3 Y -","- C43 H63 Cl2 N2 O3 Y -","- C172 H252 Cl8 N8 O12 Y4 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1162","0.0469","","","0.0779","0.0892","","","","","","1.002","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082122","17.757","0.005","19.172","0.005","10.763","0.003","90","","90","","90","","3664.1","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C75 H90 N12 O9 Pt4 -","- C75 H90 N12 O9 Pt4 -","- C150 H180 N24 O18 Pt8 -","2","0.25","","Deibel, Naina; Hohloch, Stephan; Sommer, Michael G.; Schweinfurth, David; Ehret, Fabian; Braunstein, Pierre; Sarkar, Biprajit","Electrochromic Platinum(II) Complexes Derived from Azobenzene and Zwitterionic Quinonoid Ligands: Electronic and Geometric Structures","Organometallics","2013","32","24","7366","","10.1021/om4009179","","","0.71073","MoKα","","0.0678","0.0396","","","0.1031","0.1314","","","","","","1.162","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082414","12.97","0.003","25.031","0.005","23.11","0.005","90","","90","","90","","7503","3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","CpRu(Tpmd)AuCCPhF","","- C35.5 H29 Au F6 N6 Ru -","- C35.5 H29 Au F6 N6 Ru -","- C284 H232 Au8 F48 N48 Ru8 -","8","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.049","0.0394","","","0.1122","0.117","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082450","40.804","0.003","10.8158","0.0007","17.1831","0.0012","90","","90","","90","","7583.4","0.9","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H49 Mg N2 O2 P -","- C43 H49 Mg N2 O2 P -","- C344 H392 Mg8 N16 O16 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1197","0.0715","","","0.1898","0.2209","","","","","","1.049","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082553","12.8689","0.0009","8.5585","0.0006","30.199","0.002","90","","90","","90","","3326.1","0.4","100","0.5","100","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","sjfbk26","","","- C16 H22 N2 O4 Si -","- C16 H22 N2 O4 Si -","- C128 H176 N16 O32 Si8 -","8","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.055","0.0398","","","0.1024","0.1104","","","","","","1.077","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082691","16.417","0.008","17.435","0.009","21.669","0.011","90","","90","","90","","6202","5","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H44 N3 Ni -","- C36 H43 N3 Ni -","- C288 H344 N24 Ni8 -","8","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","","0.055","","","","0.1961","","","","","","1.136","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082928","15.1252","0.0002","14.0062","0.0002","21.2494","0.0004","90","","90","","90","","4501.61","0.12","233","2","233","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 F6 N O P Ru -","- C20 H28 F6 N O P Ru -","- C160 H224 F48 N8 O8 P8 Ru8 -","8","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0598","0.0537","","","0.122","0.1242","","","","","","1.193","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4083050","19.8674","0.0012","24.7578","0.0015","20.4621","0.0007","90","","90","","90","","10064.8","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H88 N4 Th -","- C50 H88 N4 Th -","- C400 H704 N32 Th8 -","8","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.1363","0.0455","","","0.0721","0.0863","","","","","","0.9","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083324","16.0771","0.0008","20.529","0.001","23.1672","0.0011","90","","90","","90","","7646.3","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45.5 H49 Ir0.5 N0.5 O P -","- C45.5 H49 Ir0.5 N0.5 O P -","- C364 H392 Ir4 N4 O8 P8 -","8","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0788","0.0443","","","0.0804","0.0824","","","","","","3.326","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083335","13.426","0.0002","18.7561","0.0003","22.6164","0.0003","90","","90","","90","","5695.25","0.15","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H34 Cl3 N3 Pd -","- C28 H34 Cl3 N3 Pd -","- C224 H272 Cl24 N24 Pd8 -","8","1","","Dunsford, Jay J.; Cavell, Kingsley J.","Pd‒PEPPSI-Type Expanded Ring N-Heterocyclic Carbene Complexes: Synthesis, Characterization, and Catalytic Activity in Suzuki‒Miyaura Cross Coupling","Organometallics","2014","33","11","2902","","10.1021/om5003107","","","0.7107","MoKα","","0.0546","0.0353","","","","0.077","","","","","","1.1052","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083534","24.9163","0.0011","18.1628","0.0006","23.2274","0.0008","90","","90","","90","","10511.6","0.7","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C48 H68 B2 F10 Mg O4 P2 -","- C48 H68 B2 F10 Mg O4 P2 -","- C384 H544 B16 F80 Mg8 O32 P16 -","8","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.1189","0.0628","","","0.1123","0.1319","","","","","","1.016","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083535","26.1843","0.0008","17.9091","0.0004","23.3892","0.0006","90","","90","","90","","10968.1","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H73 B2 F10 Mg O4.5 P2 -","- C50 H73 B2 F10 Mg O4.5 P2 -","- C400 H584 B16 F80 Mg8 O36 P16 -","8","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0791","0.0542","","","0.1179","0.1274","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083547","14.561","0.0007","17.35","0.0017","24.531","0.003","90","","90","","90","","6197.3","1","150","1","150","1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C43 H64 Cl10 F6 N4 O10 S2 Sn2 -","- C43 H64 Cl10 F6 N4 O10 S2 Sn2 -","- C172 H256 Cl40 F24 N16 O40 S8 Sn8 -","4","0.5","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.1163","0.0913","","","0.2286","0.2485","","","","","","1.18","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083639","17.9085","0.0005","8.3223","0.0002","25.3872","0.0007","90","","90","","90","","3783.71","0.17","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-2,6-dichloro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine","","- C21 H16 Cl2 N4 O0 -","- C21 H16 Cl2 N4 -","- C168 H128 Cl16 N32 -","8","1","","Sun, Wen-Hua; Hao, Peng; Zhang, Shu; Shi, Qisong; Zuo, Weiwei; Tang, Xiubo; Lu, Xiaoming","Iron(II) and Cobalt(II) 2-(Benzimidazolyl)-6-(1-(arylimino)ethyl)pyridyl Complexes as Catalysts for Ethylene Oligomerization and Polymerization","Organometallics","2007","26","10","2720","","10.1021/om0700819","","","0.71073","MoKα","","","0.0447","","","0.1215","0.137","","","","","","0.994","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083731","16.657","0.0003","8.0848","0.0002","27.9824","0.0005","90","","90","","90","","3768.35","0.13","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Li, Jing; Noyori, Shintaro; Nakajima, Kiyohiko; Nishihara, Yasushi","New Entry to the Synthesis of α-Iminonitriles by Lewis Acid Mediated Isomerization of Cyano-Substituted Iminoisobenzofurans Prepared by Palladium-Catalyzed Three-Component Coupling of Arynes, Isocyanides, and Cyanoformates","Organometallics","2014","","","140623114450000","","10.1021/om500408h","","","0.71075","MoKα","","0.0955","0.0678","","","0.1587","0.1738","","","","","","1.098","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083817","29.0236","0.0011","14.3539","0.0007","13.7154","0.0008","90","","90","","90","","5713.9","0.5","173.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H23 I O2 P2 Pd -","- C14 H23 I O2 P2 Pd -","- C168 H276 I12 O24 P24 Pd12 -","12","1.5","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.028","","","","0.037","","","","","","0.544","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083987","19.546","0.004","16.098","0.001","26.168","0.006","90","","90","","90","","8234","3","1.5","0.5","1.5","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H103 Al2 Li9 N12 -","- C86 H103 Al2 Li9 N12 -","- C344 H412 Al8 Li36 N48 -","4","0.5","","Boss, Sally R.; Cole, Jacqueline M.; Haigh, Robert; Snaith, Ronald; Wheatley, Andrew E. H.; McIntyre, Garry J.; Raithby, Paul R.","Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+","Organometallics","2004","23","20","4527","","10.1021/om049661l","","","","neutrons(polychromatic)","","0.1266","0.0972","","","0.13","0.134","","","","","","1.94","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083988","19.546","0.004","16.098","0.001","26.168","0.006","90","","90","","90","","8234","3","180","0.5","180","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H103 Al2 Li9 N12 -","- C86 H103 Al2 Li9 N12 -","- C344 H412 Al8 Li36 N48 -","4","0.5","","Boss, Sally R.; Cole, Jacqueline M.; Haigh, Robert; Snaith, Ronald; Wheatley, Andrew E. H.; McIntyre, Garry J.; Raithby, Paul R.","Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+","Organometallics","2004","23","20","4527","","10.1021/om049661l","","","","neutrons(polychromatic)","","0.2139","0.1723","","","0.1967","0.2042","","","","","","2.122","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084286","14.7898","0.0003","15.8754","0.0011","13.8691","0.0003","90","","90","","90","","3256.4","0.2","366","2","366","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H20 Ir N O3 -","- C17 H20 Ir N O3 -","- C136 H160 Ir8 N8 O24 -","8","1","","Chen, Jeffrey; Campos, Jesús; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David","Distortional Effects of Noncovalent Interactions in the Crystal Lattice of a Cp*Ir(III) Acylhydroxamic Acid Complex: A Joint Experimental‒Computational Study","Organometallics","2014","33","17","4417","","10.1021/om500625c","","","1.54178","CuKα","","0.0298","0.0295","","","0.0733","0.0736","","","","","","1.146","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084436","31.347","0.003","9.5789","0.0009","17.9303","0.0018","90","","90","","90","","5383.9","0.9","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 S Sn -","- C32 H28 S Sn -","- C256 H224 S8 Sn8 -","8","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","0.066","0.0415","","","0.118","0.1391","","","","","","1.061","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4085135","20.8574","0.0019","19.1864","0.0014","16.4672","0.0014","90","","90","","90","","6589.8","1","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H30 Au F6 N3 O4 S2 -","- C32 H30 Au F6 N3 O4 S2 -","- C256 H240 Au8 F48 N24 O32 S16 -","8","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0294","0.0264","","","0.0706","0.0721","","","","","","1.056","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085391","10.6581","0.0002","35.7402","0.0006","30.3489","0.0005","90","","90","","90","","11560.6","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58.5 H42 N3 O15 Re3 S3 -","- C58.5 H42 N3 O15 Re3 S3 -","- C468 H336 N24 O120 Re24 S24 -","8","1","","Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.","Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization","Organometallics","2015","34","4","724","","10.1021/om501005n","","","0.71073","MoKα","","0.0534","0.0429","","","0.1052","0.1117","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085682","17.86211","0.00017","17.52994","0.00015","21.0147","0.0002","90","","90","","90","","6580.16","0.1","100.05","0.1","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)","K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)","","- C35 H37 N2 O3 P Pd S -","- C35 H37 N2 O3 P Pd S -","- C280 H296 N16 O24 P8 Pd8 S8 -","8","1","","Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.","Synthesis and Reactivity of Neutral Palladium(II) Alkyl Complexes that Contain Phosphinimine-Arenesulfonate Ligands","Organometallics","2015","34","10","1844","","10.1021/om501262r","","","0.71073","MoKα","","0.0649","0.0435","","","0.0957","0.1041","","","","","","1.079","","","","has coordinates","141377","2020-10-21","18:00:00",""
"4085697","41.589","0.008","13.058","0.003","15.11","0.003","90","","90","","90","","8206","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H58 Cl Sb Si8 Zr -","- C26 H58 Cl Sb Si8 Zr -","- C208 H464 Cl8 Sb8 Si64 Zr8 -","8","1","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0875","0.0842","","","0.1619","0.1636","","","","","","1.375","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085698","41.538","0.008","13.038","0.003","15.117","0.003","90","","90","","90","","8187","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H49 Cl Hf Sb Si8 -","- C26 H49 Cl Hf Sb Si8 -","- C208 H392 Cl8 Hf8 Sb8 Si64 -","8","1","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.086","0.0768","","","0.158","0.1622","","","","","","1.278","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085724","21.5619","0.0005","13.5371","0.0002","19.8932","0.0004","90","","90","","90","","5806.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 O4 P2 Ru -","- C26 H34 Cl2 O4 P2 Ru -","- C208 H272 Cl16 O32 P16 Ru8 -","8","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.1669","0.0923","","","0.1237","0.1431","","","","","","1.151","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085840","8.3427","0.0017","18.809","0.004","18.266","0.004","90","","90","","90","","2866.3","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H51 N Os P2 S -","- C27 H48 N Os P2 S -","- C108 H192 N4 Os4 P8 S4 -","4","0.5","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.042","0.0335","","","0.0609","0.0622","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085887","33.7429","0.0006","7.9777","0.0001","19.4794","0.0003","90","","90","","90","","5243.67","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24.5 H34 Cl2 N4 Ru -","- C24.5 H34 Cl2 N4 Ru -","- C196 H272 Cl16 N32 Ru8 -","8","1","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","1.5418","CuKα","","0.0632","0.0491","","","0.1241","0.1358","","","","","","1.033","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4085980","26.023","0.003","9.7154","0.0009","9.065","0.0009","90","","90","","90","","2291.8","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","ligand Ph2PNHSO2NHPPh2","","","- C24 H22 N2 O2 P2 S -","- C24 H22 N2 O2 P2 S -","- C96 H88 N8 O8 P8 S4 -","4","0.5","","Oldenhof, Sander; Terrade, Frederic G.; Lutz, Martin; van der Vlugt, Jarl Ivar; Reek, Joost N. H.","Formation and Site-Selective Reactivity of a Nonsymmetric Dinuclear Iridium BisMETAMORPhos Complex","Organometallics","2015","34","13","3209","","10.1021/acs.organomet.5b00249","","","0.71073","","","0.0567","0.0425","","","0.0858","0.0918","","","","","","1.178","","","","has coordinates,has disorder","152885","2020-10-21","18:00:00",""
"4086051","20.664","0.0018","14.8519","0.0012","6.9524","0.0007","90","","90","","90","","2133.7","0.3","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H18.92 Br3 Cu2.08 N2 -","- C21 H18.918 Br3 Cu2.082 N2 -","- C84 H75.672 Br12 Cu8.328 N8 -","4","0.5","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0645","0.0509","","","0.0888","0.0938","","","","","","1.131","","","","has coordinates,has disorder","152903","2020-10-21","18:00:00",""
"4086054","20.7826","0.0007","14.9253","0.0004","6.9568","0.0002","90","","90","","90","","2157.91","0.11","110","0.1","110","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H18.91 Br3 Cu2.09 N2 -","- C21 H18.907 Br3 Cu2.093 N2 -","- C84 H75.628 Br12 Cu8.372 N8 -","4","0.5","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0624","0.0457","","","0.0854","0.0927","","","","","","1.064","","","","has coordinates,has disorder","152903","2020-10-21","18:00:00",""
"4086194","38.374","0.003","12.664","0.0009","21.6208","0.0015","90","","90","","90","","10507","1.3","187","2","187","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C59 H70 La N2 O P -","- C59 H70 La N2 O P -","- C472 H560 La8 N16 O8 P8 -","8","1","","Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei","Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity","Organometallics","2015","34","16","4063","","10.1021/acs.organomet.5b00502","","","0.71073","MoKα","","0.2295","0.0958","","","0.1341","0.1758","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086405","7.2086","0.0006","14.8189","0.0011","24.7866","0.0019","90","","90","","90","","2647.8","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C104 H104 N24 O32 S8 -","8","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.0674","0.0442","","","0.1035","0.1158","","","","","","1.051","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086737","21.983","0.003","15.019","0.002","9.2362","0.0014","90","","90","","90","","3049.4","0.7","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H22 B N -","- C18 H22 B N -","- C144 H176 B8 N8 -","8","1","","Smith, Mallory F.; Cassidy, S. Joel; Adams, Ian A.; Vasiliu, Monica; Gerlach, Deidra L.; Dixon, David A.; Rupar, Paul A.","Substituent Effects on the Properties of Borafluorenes","Organometallics","2016","35","18","3182","","10.1021/acs.organomet.6b00537","","","0.71073","MoKα","","0.0847","0.0672","","","0.2164","0.2289","","","","","","1.721","","","","has coordinates,has disorder","186948","2020-10-21","18:00:00",""
"4086766","9.3622","0.0013","14.3857","0.0015","16.751","0.002","90","","90","","90","","2256.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18.71 H32 Co N5.29 O2 -","- C18.7 H32 Co N5.3 O2 -","- C74.8 H128 Co4 N21.2 O8 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.047","0.0326","","","0.0777","0.0848","","","","","","1.028","","","","has coordinates,has disorder","188327","2020-10-21","18:00:00",""
"4087071","15.946","0.003","16.474","0.003","15.387","0.003","90","","90","","90","","4042.1","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H13 N O5 Ru2 -","- C21 H13 N O5 Ru2 -","- C168 H104 N8 O40 Ru16 -","8","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.033","0.0282","","","0.0694","0.073","","","","","","1.088","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087138","27.4912","0.0006","12.6235","0.0003","11.0362","0.0002","90","","90","","90","","3829.95","0.14","173","2","173","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C22 H20 N2 Si -","- C22 H20 N2 Si -","- C176 H160 N16 Si8 -","8","1","","Lei, Hu; Aly, Shawkat M.; Karsenti, Paul-Ludovic; Fortin, Daniel; Harvey, Pierre D.","Luminescent Organometallic Complexes Built upon the Nonemissive Azophenine","Organometallics","2017","36","3","572","","10.1021/acs.organomet.6b00789","","x-ray","1.54178","CuKα","","0.1439","0.0772","","","0.1975","0.2405","","","","","","1.045","","","","has coordinates","193341","2020-10-21","18:00:00",""
"4087176","11.7962","0.0003","16.9274","0.0005","36.1586","0.0012","90","","90","","90","","7220.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C82 H104 N4 O4 U2 -","- C82 H104 N4 O4 U2 -","- C328 H416 N16 O16 U8 -","4","0.5","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","0.71073","MoKα","","0.0968","0.0435","","","0.0635","0.0789","","","","","","1.023","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087473","13.79","0.004","18.241","0.003","33.719","0.007","90","","90","","90","","8482","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C94 H112 Mg2 N4 O4 -","- C94 H112 Mg2 N4 O4 -","- C376 H448 Mg8 N16 O16 -","4","0.5","","Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr","Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates","Organometallics","2015","34","20","4871","","10.1021/acs.organomet.5b00146","","","0.71073","MoKα","","0.1268","0.0571","","","0.1269","0.1444","","","","","","0.926","","","","has coordinates","236810","2020-10-21","18:00:00",""
"4087478","35.692","0.003","14.3559","0.0011","20.764","0.0015","90","","90","","90","","10639.3","1.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C59 H73 N O3 P W -","- C59 H73 N O3 P W -","- C472 H584 N8 O24 P8 W8 -","8","1","","VenkatRamani, Sudarsan; Huff, Nicholas B.; Jan, Muhammad Tariq; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","New Alkylidyne Complexes Featuring a Flexible Trianionic ONO3‒ Pincer-Type Ligand: Inorganic Enamine Effect versus Sterics in Electrophilic Additions","Organometallics","2015","34","12","2841","","10.1021/acs.organomet.5b00155","","","0.71073","MoKα","","0.1053","0.0361","","","0.0551","0.0649","","","","","","0.84","","","","has coordinates,has disorder","236815","2020-10-21","18:00:00",""
"4087503","25.061","0.003","15.4141","0.0017","19.272","0.002","90","","90","","90","","7444.6","1.4","100","0.5","100","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","jonlm06","(dippe)Pd(k2-3MeBT)","","- C23 H40 P2 Pd S -","- C23 H40 P2 Pd S -","- C276 H480 P24 Pd12 S12 -","12","1.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0831","0.0584","","","0.1107","0.1197","","","","","","1.145","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087519","19.8917","0.0006","7.5254","0.0002","18.6598","0.0008","90","","90","","90","","2793.24","0.16","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H36 O4 U -","- C32 H36 O4 U -","- C128 H144 O16 U4 -","4","0.5","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","1.54178","CuKα","","0.0605","0.0534","","","0.1771","0.1897","","","","","","1.195","","","","has coordinates","236834","2020-10-21","18:00:00",""
"4087533","21.663","0.004","12.539","0.003","15.187","0.003","90","","90","","90","","4125.3","1.5","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H14 Fe2 O7 S2 -","- C19 H14 Fe2 O7 S2 -","- C152 H112 Fe16 O56 S16 -","8","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0321","0.0282","","","0.0602","0.0619","","","","","","1.088","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087671","34.451","0.003","11.035","0.0009","14.4669","0.0012","90","","90","","90","","5499.8","0.8","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","p-NMe2tbu(POCOP)IrHCl","","","- C24 H45 Cl Ir N O2 P2 -","- C24 H45 Cl Ir N O2 P2 -","- C192 H360 Cl8 Ir8 N8 O16 P16 -","8","1","","Mucha, Neil T.; Waterman, Rory","Iridium Pincer Catalysts for Silane Dehydrocoupling: Ligand Effects on Selectivity and Activity","Organometallics","2015","34","15","3865","","10.1021/acs.organomet.5b00486","","","0.71073","MoKα","","0.0238","0.0195","","","0.0372","0.0401","","","","","","1.107","","","","has coordinates","236913","2020-10-21","18:00:00",""
"4087705","12.0616","0.0002","17.2266","0.0003","27.9283","0.0005","90","","90","","90","","5802.95","0.17","110","0.1","110","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H54 Cl4 Fe4 O4 P2 W -","- C66 H54 Cl4 Fe4 O4 P2 W -","- C264 H216 Cl16 Fe16 O16 P8 W4 -","4","0.5","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0339","0.0286","","","0.0577","0.0593","","","","","","1.088","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4088061","28.4631","0.001","23.2026","0.0005","16.3645","0.0004","90","","90","","90","","10807.4","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,2,-Bis{bis[bis(trimethylsilyl)methyl-chlorido-stannyl]}propane","","- C32.5 H85 Cl2 O0.5 Si8 Sn2 -","- C31 H82 Cl2 Si8 Sn2 -","- C248 H656 Cl16 Si64 Sn16 -","8","1","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","0.71073","MoKα","","0.077","0.0483","","","0.1331","0.1477","","","","","","0.96","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088152","30.7946","0.0005","17.3685","0.0003","19.8227","0.0003","90","","90","","90","","10602.3","0.3","223","2","223","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C55 H42 B F15 N O P Si -","- C55 H42 B F15 N O P Si -","- C440 H336 B8 F120 N8 O8 P8 Si8 -","8","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","1.54178","CuKα","","0.1045","0.0596","","","0.1479","0.1715","","","","","","1.092","","","","has coordinates","237316","2020-10-21","18:00:00",""
"4088390","14.232","0.003","24.476","0.005","20.231","0.005","90","","90","","90","","7047","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H100 K2 N2 O2 P4 -","- C54 H100 K2 N2 O2 P4 -","- C216 H400 K8 N8 O8 P16 -","4","0.5","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.1369","0.1045","","","0.2888","0.3055","","","","","","1.053","","","","has coordinates,has disorder","237533","2020-10-21","18:00:00",""
"4088546","14.5822","0.0015","13.5478","0.0014","38.859","0.004","90","","90","","90","","7676.9","1.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C66 H84 B22 Cl4 -","- C66 H84 B22 Cl4 -","- C264 H336 B88 Cl16 -","4","0.5","","Choi, Byung Hoon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Park, Myung Hwan","Novel Dimeric o-Carboranyl Triarylborane: Intriguing Ratiometric Color-Tunable Sensor via Aggregation-Induced Emission by Fluoride Anions","Organometallics","2016","35","11","1771","","10.1021/acs.organomet.6b00172","","","0.71073","MoKα","","0.1513","0.0948","","","0.2527","0.2698","","","","","","1.086","","","","has coordinates","237658","2020-10-21","18:00:00",""
"4088737","9.3622","0.0013","14.3857","0.0015","16.751","0.002","90","","90","","90","","2256.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18.71 H32 Co N5.29 O2 -","- C18.7 H32 Co N5.3 O2 -","- C74.8 H128 Co4 N21.2 O8 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.047","0.0326","","","0.0777","0.0848","","","","","","1.028","","","","has coordinates,has disorder","237801","2020-10-21","18:00:00",""
"4088892","20.9198","0.0011","14.1928","0.0006","18.5858","0.0008","90","","90","","90","","5518.3","0.4","150.04","0.13","150.04","0.13","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24.5 H15 F3 N5 O6 Re S -","- C24.5 H15 F3 N5 O6 Re S -","- C196 H120 F24 N40 O48 Re8 S8 -","8","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.1122","0.0526","","","0.0747","0.1011","","","","","","1.104","","","","has coordinates,has disorder","237871","2020-10-21","18:00:00",""
"4088918","15.177","0.0018","19.121","0.002","18.807","0.002","90","","90","","90","","5457.8","1","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H56 F K N8 O18 Si8 -","- C36 H56 F K N8 O18 Si8 -","- C144 H224 F4 K4 N32 O72 Si32 -","4","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0383","0.0347","","","0.0861","0.0881","","","","","","1.163","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4088920","15.1086","0.0005","19.1296","0.0006","18.9252","0.0013","90","","90","","90","","5469.8","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H56 F N8 O18 Rb Si8 -","- C36 H56 F N8 O18 Rb Si8 -","- C144 H224 F4 N32 O72 Rb4 Si32 -","4","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0417","0.0317","","","0.0768","0.081","","","","","","1.044","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4089007","33.568","0.003","30.197","0.002","35.307","0.003","90","","90","","90","","35789","5","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C152.5 H196 Li4 N4 O24 P4 Pd4 S8 -","- C152.5 H196 Li4 N4 O24 P4 Pd4 S8 -","- C1220 H1568 Li32 N32 O192 P32 Pd32 S64 -","8","1","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","0.71073","MoKα","","0.1191","0.0994","","","0.2374","0.2468","","","","","","1.072","","","","has coordinates,has disorder","237920","2020-10-21","18:00:00",""
"4089059","8.2491","0.0005","11.6481","0.0008","27.725","0.002","90","","90","","90","","2664","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au2 Cl2 N6 -","- C24 H28 Au2 Cl2 N6 -","- C96 H112 Au8 Cl8 N24 -","4","0.5","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.0666","0.0435","","","0.1172","0.1294","","","","","","1.052","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089197","28.5229","0.0016","15.4584","0.0009","15.6649","0.0009","90","","90","","90","","6906.9","0.7","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H66 Cl4 F4 Ir2 N6 O6 -","- C72 H66 Cl4 F4 Ir2 N6 O6 -","- C288 H264 Cl16 F16 Ir8 N24 O24 -","4","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0474","0.0356","","","0.0636","0.0671","","","","","","1.351","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089259","17.0174","0.0009","13.5503","0.0009","20.5662","0.0015","90","","90","","90","","4742.4","0.5","101","","101","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C52 H66 Cl2 O2 Si Ti -","- C52 H66 Cl2 O2 Si Ti -","- C208 H264 Cl8 O8 Si4 Ti4 -","4","0.5","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0438","0.0371","","","0.098","0.1014","","","","","","1.125","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089261","17.0522","0.0007","13.6012","0.0006","20.6542","0.0009","90","","90","","90","","4790.3","0.4","100","","100","","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C54 H72 O2 Si Ti -","- C54 H72 O2 Si Ti -","- C216 H288 O8 Si4 Ti4 -","4","0.5","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0385","0.0336","","","0.0841","0.0869","","","","","","1.035","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089362","24.372","0.003","22.53","0.003","17.977","0.002","90","","90","","90","","9871","2","293.1","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H64 Ir2 Mo O P2 S2 -","- C51 H51 Ir2 Mo P2 S2 -","- C408 H408 Ir16 Mo8 P16 S16 -","8","1","","Kajitani, Hidenobu; Seino, Hidetake; Mizobe, Yasushi","Synthesis of a Sulfido-Capped Trinuclear Cluster [{(η5-C5Me5)Ir}2{Mo(CO)3}(μ3-S)2] and Its Reactions at the Molybdenum Site Forming a Series of Ir2MoS2Clusters","Organometallics","2007","26","14","3499","","10.1021/om070190n","","","0.7107","MoKα","","","0.0431","","","","0.0877","","","","","","1.03","","","","has coordinates","243617","2020-10-21","18:00:00",""
"4089419","11.5722","0.0007","15.5202","0.0009","13.4168","0.0008","90","","90","","90","","2409.7","0.2","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H34 P2 Pd -","- C24 H34 P2 Pd -","- C96 H136 P8 Pd4 -","4","0.5","","Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis","Organometallics","2013","32","11","3411","","10.1021/om400089n","","","0.71073","MoKα","","0.0311","0.0262","","","0.0706","0.0779","","","","","","1.063","","","","has coordinates","243637","2020-10-21","18:00:00",""
"4089487","15.5722","0.0001","21.561","0.0003","36.5134","0.0005","90","","90","","90","","12259.5","0.3","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H59 B F24 O4 P2 Pd -","- C55 H59 B F24 O4 P2 Pd -","- C440 H472 B8 F192 O32 P16 Pd8 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1478","0.0541","","","0.0971","0.1291","","","","","","0.995","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089488","15.5152","0.0003","21.4383","0.0004","36.5536","0.0006","90","","90","","90","","12158.4","0.4","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H59 B F24 Ni O4 P2 -","- C55 H59 B F24 Ni O4 P2 -","- C440 H472 B8 F192 Ni8 O32 P16 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1147","0.0513","","","0.0985","0.1236","","","","","","1.013","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089665","16.4704","0.001","22.8734","0.0005","16.2804","0.0004","90","","90","","90","","6133.4","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C61 H52 B F24 N4 O4 Rh -","- C61 H52 B F24 N4 O4 Rh -","- C244 H208 B4 F96 N16 O16 Rh4 -","4","0.5","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0463","0.0382","","","0.0838","0.0876","","","","","","1.069","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4100125","11.89","0.0006","14.086","0.0004","17.87","0.0009","90","0","90","0","90","0","2992.9","0.2","200","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","?","- C67 H56 Cl F4 O12 -","- C268 H224 Cl4 F16 O48 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100129","12.73","0.0005","14.609","0.0006","17.689","0.0007","90","","90","","90","","3289.7","0.2","273.2","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 F8 O4 P -","- C67 F16 O8 P -","- C268 F64 O32 P4 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100284","35.52","0.003","11.5844","0.001","18.7071","0.0016","90","","90","","90","","7697.6","1.1","117","1","117","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H55 Cl2 Co N3 O3.5 -","- C39 H55 Cl2 Co N3 O3.5 -","- C312 H440 Cl16 Co8 N24 O28 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100554","36.569","0.003","13.3334","0.0011","26.1782","0.0019","90","","90","","90","","12764.2","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C124.5 H113 Cl5 F12 N4 P10 Ru2 -","- C122 H108 F12 N4 P10 Ru2 -","- C488 H432 F48 N16 P40 Ru8 -","4","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100678","41.4988","0.0013","27.064","0.0009","25.7975","0.0008","90","","90","","90","","28973.8","1.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H108 Ir8 O12 P4 Pt4 -","- C60 H108 Ir8 O12 P4 Pt4 -","- C720 H1296 Ir96 O144 P48 Pt48 -","12","1.5","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100801","41.7907","0.0009","7.5006","0.0001","17.4735","0.0003","90","","90","","90","","5477.16","0.17","293","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H28 O Si -","- C35 H28 O Si -","- C280 H224 O8 Si8 -","8","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100807","18.3004","0.0006","10.759","0.003","11.458","0.002","90","","90","","90","","2255.9","0.8","223.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Co N8 O8 -","- C22 H18 Co N8 O8 -","- C88 H72 Co4 N32 O32 -","4","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101564","25.226","0.005","14.078","0.003","28.556","0.006","90","","90","","90","","10141","3","173","2","173","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C50.5 H74 F3 Fe N O4 P2 Pd S -","- C50.5 H73 F3 Fe N O4 P2 Pd S -","- C404 H584 F24 Fe8 N8 O32 P16 Pd8 S8 -","8","1","","Shen, Qilong; Hartwig, John F","Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.","Journal of the American Chemical Society","2006","128","31","10028","10029","10.1021/ja064005t","","","0.71073","MoKα","","0.0907","0.0525","","","0.1356","0.1519","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101819","27.177","0.004","21.223","0.003","27.88","0.004","90","","90","","90","","16081","4","","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C82 H84 F12 N8 O14 P2 S4 -","- C107 H119 F12 N9.5 O19 P2 S4 -","- C856 H952 F96 N76 O152 P16 S32 -","8","1","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102219","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore","Masked Cyanoacrylates Unveiled by Mechanical Force","Journal of the American Chemical Society","2010","132","","4558","4559","10.1021/ja1008932","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102245","13.3838","0.0004","16.0477","0.0005","17.3339","0.0006","90","","90","","90","","3723","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Fe0.5 N1.5 O3 P -","- C20 H18 Fe0.5 N1.5 O3 P -","- C160 H144 Fe4 N12 O24 P8 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0655","0.0505","","","0.1363","0.1573","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102737","10.055","0.005","12.875","0.007","37.899","0.019","90","","90","","90","","4906","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H58 N4 O8 S2 -","- C57 H58 N4 O8 S2 -","- C228 H232 N16 O32 S8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.6933","synchrotron","","0.137","0.1143","","","0.2491","0.2598","","","","","","1.131","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4103216","24.2849","0.0011","8.0847","0.0004","24.1022","0.0011","90","","90","","90","","4732.1","0.4","163","1","163","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H35 N O3 S -","- C25 H35 N O3 S -","- C200 H280 N8 O24 S8 -","8","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0848","0.0529","","","0.1263","0.1428","","","","","","1.032","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103380","38.806","0.008","15.342","0.003","14.647","0.003","90","","90","","90","","8720","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H33 Cl6 Mn N4 O4 -","- C45 H33 Cl6 Mn N4 O4 -","- C360 H264 Cl48 Mn8 N32 O32 -","8","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1274","0.0625","","","0.1662","0.1872","","","","","","1.037","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103456","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H39.5 Cl6 O6.75 -","- C47 H38 Cl6 O6.75 -","- C564 H456 Cl72 O81 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0702","0.0462","","","0.1074","0.1162","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103457","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H38 Cl6 O6 -","- C47 H38 Cl6 O6 -","- C564 H456 Cl72 O72 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0676","0.0468","","","0.1006","0.1087","","","","","","1.063","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103550","17.5388","0.0017","17.3342","0.0017","18.8857","0.0018","90","","90","","90","","5741.7","1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H38 B3 N5 O -","- C27 H38 B3 N5 O -","- C216 H304 B24 N40 O8 -","8","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Electrophilic Aromatic Substitution of a BN Indole","Journal of the American Chemical Society","2010","132","","16340","16342","10.1021/ja107312u","","","0.71073","MoKα","","0.0745","0.0465","","","0.1025","0.1188","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103574","6.8414","0.0019","25.756","0.007","10.444","0.003","90","","90","","90","","1840.3","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 Cl N12 O2 -","- C16 H17 Cl N12 O2 -","- C64 H68 Cl4 N48 O8 -","4","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.1007","0.0716","","","0.1784","0.1952","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103992","21.051","0.002","19.381","0.002","9.0189","0.0009","90","","90","","90","","3679.6","0.6","150","2","150","2","","","","","","","","2","P b c n","-P 2n 2ab","60","tilley01","ZL141a","","- C50 H42 -","- C50 H42 -","- C200 H168 -","4","0.5","","Zerubba U. Levi; T. Don Tilley","Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes","Journal of the American Chemical Society","2009","131","","2796","2797","10.1021/ja809930f","","","0.7749","synchrotron","","0.0559","0.0456","","","0.1221","0.1311","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104322","15.578","0.003","9.1704","0.0018","19.993","0.004","90","","90","","90","","2856.1","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H28 Al2 Ge7 N2 O18 -","- C10 H28 Al1.98 Ge7.02 N2 O18 -","- C40 H112 Al7.92 Ge28.08 N8 O72 -","4","0.5","","Jie Su; Yingxia Wang; Zheming Wang; Jianhua Lin","PKU-9: An Aluminogermanate with a New Three-Dimensional Zeolite Framework Constructed from CGS Layers and Spiro-5 Units","Journal of the American Chemical Society","2009","131","","6080","6081","10.1021/ja901330u","","","0.71073","MoKα","","0.078","0.0428","","","0.1218","0.1301","","","","","","1.025","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104337","24.797","0.003","13.229","0.0012","9.6376","0.0009","90","","90","","90","","3161.5","0.6","143","1","143","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H18 Cl F3 O2 -","- C15 H18 Cl F3 O2 -","- C120 H144 Cl8 F24 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0738","0.0603","","","0.1596","0.1708","","","","","","1.062","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104681","12.58","0.003","16.395","0.004","16.766","0.004","90","","90","","90","","3458","1.4","103.15","","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H54 B Li N2 O2 -","- C34 H54 B Li N2 O2 -","- C136 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.053","0.0481","","","0.114","0.1169","","","","","","1.139","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104715","12.9583","0.0008","10.9835","0.0007","12.9596","0.0007","90","","90","","90","","1844.51","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Sodium Mercury Stannide","","","- Hg2.39 Na5 Sn9.61 -","- Hg2.39 Na5 Sn9.61 -","- Hg9.56 Na20 Sn38.44 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0474","0.0329","","","0.0761","0.0784","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104716","12.7717","0.0007","10.8042","0.0007","12.7774","0.0009","90","","90","","90","","1763.13","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Na5 Sn9.72 Zn2.28 -","- Na5 Sn9.722 Zn2.278 -","- Na20 Sn38.888 Zn9.112 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0481","0.0353","","","0.0696","0.0716","","","","","","1.219","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4105267","22.0808","0.0008","16.6729","0.0006","14.5623","0.0005","90","","90","","90","","5361.1","0.3","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","D-63","D-63","","- C23 H25 F6 N3 O5 Pd -","- C23 H25 F6 N3 O5 Pd -","- C184 H200 F48 N24 O40 Pd8 -","8","1","","Paul A. Sibbald; Carolyn F. Rosewall; Rodney D. Swartz; Forrest E. Michael","Mechanism of N-Fluorobenzenesulfonimide Promoted Diamination and Carboamination Reactions: Divergent Reactivity of a Pd(IV) Species","Journal of the American Chemical Society","2009","131","","15945","15951","10.1021/ja906915w","","","0.71073","MoKα","","0.1382","0.0544","","","0.1131","0.141","","","","","","0.986","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105289","17.2256","0.0003","17.7766","0.0003","18.5676","0.0003","90","","90","","90","","5685.63","0.17","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H90 O Pt Zn8 -","- C52 H90 O Pt Zn8 -","- C208 H360 O4 Pt4 Zn32 -","4","0.5","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0435","0.0234","","","0.0532","0.057","","","","","","0.949","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105621","18.1916","0.0015","8.3327","0.0007","20.9582","0.0017","90","","90","","90","","3177","0.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0853","0.052","","","0.1281","0.1499","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105925","28.8523","0.0015","17.1852","0.0009","15.6207","0.0008","90","","90","","90","","7745.3","0.7","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C337.92 H336.8 Cl17.12 Ir8 N16 O44.96 S8 -","8","1","","Amedeo Santoro; Anton M. Prokhorov; Valery N. Kozhevnikov; Adrian C. Whitwood; Bertrand Donnio; J. A. Gareth Williams; Duncan W. Bruce","Emissive Metallomesogens Based on 2-Phenylpyridine Complexes of Iridium(III)","Journal of the American Chemical Society","2011","133","","5248","5251","10.1021/ja201245s","","","0.71073","MoKα","","0.0487","0.0278","","","0.0649","0.0756","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105946","21.316","0.004","25.165","0.005","19.732","0.004","90","","90","","90","","10585","4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H48 B F15 Si8 Sn -","- C34 H48 B F15 Si8 Sn -","- C272 H384 B8 F120 Si64 Sn8 -","8","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.0947","0.0656","","","0.1124","0.1211","","","","","","1","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106141","22.02","0.0007","20.7992","0.0009","23.3115","0.001","90","","90","","90","","10676.6","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H68 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","- C368 H448 Mg16 N64 O32 -","8","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.141","0.0855","","","0.2449","0.2739","","","","","","1.025","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106424","22.88","0.02","24.28","0.02","25.54","0.01","90","","90","","90","","14188","18","220","","220","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C484.32 H522.48 Cl24 Lu8 N94.16 O148 -","4","0.5","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0645","0.0438","","0.1186","0.1065","0.1186","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106602","17.0829","0.0004","40.0431","0.0007","13.3183","0.0003","90","","90","","90","","9110.4","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H12 N6 O8 Ru Zn -","- C26 H12 N6 O8 Ru Zn -","- C208 H96 N48 O64 Ru8 Zn8 -","8","1","","Caleb A. Kent; Demin Liu; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching","Journal of the American Chemical Society","2011","133","","12940","12943","10.1021/ja204214t","","","1.54178","CuKα","","0.0838","0.0509","","","0.1232","0.1395","","","","","","0.722","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4107041","12.9805","0.0007","14.104","0.0009","25.6051","0.0013","90","","90","","90","","4687.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C112 H72 Cu8 N8 O40 -","8","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.0785","0.0626","","","0.1742","0.1825","","","","","","1.089","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107147","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107337","10.4875","0.0008","17.2088","0.0013","21.1554","0.0015","90","","90","","90","","3818.1","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H53 Cl Mo N2 O2 -","- C42 H53 Cl Mo N2 O2 -","- C168 H212 Cl4 Mo4 N8 O8 -","4","0.5","","Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige","Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand","Journal of the American Chemical Society","2008","130","","1116","1117","10.1021/ja074901k","","","0.71073","MoKα","","0.0386","0.0263","","","0.0771","0.0804","","","","","","1.241","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107387","17.804","0.005","15.736","0.005","30.893","0.01","90","","90","","90","","8655","5","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","qoxCMoP3","","","- C17 H33 Mo N2 P3 -","- C17 H33 Mo N2 P3 -","- C272 H528 Mo16 N32 P48 -","16","2","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1943","0.0595","","","0.108","0.1409","","","","","","1.012","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107415","33.114","0.005","20.457","0.003","20.698","0.003","90","","90","","90","","14021","4","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C75 H93 F3 N2 O7 P2 S U -","- C69 H63 F3 N2 O7 P2 S U -","- C552 H504 F24 N16 O56 P16 S8 U8 -","8","1","","Trevor W. Hayton; Guang Wu","Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex","Journal of the American Chemical Society","2008","130","","2005","2014","10.1021/ja077538q","","","0.71073","MoKα","","0.1521","0.0586","","","0.132","0.148","","","","","","0.891","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4108209","25.5208","0.0006","16.2775","0.0004","26.0702","0.0006","90","","90","","90","","10829.9","0.4","150","","150","","","","","","","","Maria Monoli, MME103","6","P b c n","-P 2n 2ab","60","","","","- C56 H148 I8 Mn10 N8 O32 -","- C48 H124 I8 Mn10 N8 O28 -","- C192 H496 I32 Mn40 N32 O112 -","4","0.5","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.1123","0.0629","","0.1531","0.1398","0.1531","","","","","","0.8833","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108546","16.8732","0.0008","18.0144","0.0007","17.8583","0.0008","90","","90","","90","","5428.2","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H60 I2 N2 Na2 Zr2 -","- C52 H60 I2 N2 Na2 Zr2 -","- C208 H240 I8 N8 Na8 Zr8 -","4","0.5","","Doris Pun; Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","N2 Hydrogenation from Activated End-On Bis(indenyl) Zirconium Dinitrogen Complexes","Journal of the American Chemical Society","2008","130","","14046","14047","10.1021/ja8048332","","","0.71073","MoKα","","0.0648","0.0419","","","0.0951","0.1037","","","","","","0.978","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4108722","12.58","0.003","16.395","0.004","16.766","0.004","90","","90","","90","","3458","1.4","103.15","","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H54 B Li N2 O2 -","- C34 H54 B Li N2 O2 -","- C136 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.053","0.0481","","","0.114","0.1169","","","","","","1.139","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108814","28.804","0.008","10.617","0.003","14.556","0.004","90","","90","","90","","4451","2","173.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H35 Cl Fe N2 -","- C21 H35 Cl Fe N2 -","- C168 H280 Cl8 Fe8 N16 -","8","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.0411","","","","0.056","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108860","34.221","0.003","13.3963","0.0012","21.1992","0.0019","90","","90","","90","","9718.5","1.5","128","2","128","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H76 Cr N2 Si -","- C53 H76 Cr N2 Si -","- C424 H608 Cr8 N16 Si8 -","8","1","","Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik","Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand","Journal of the American Chemical Society","2008","130","","17351","17361","10.1021/ja803798b","","","0.71073","MoKα","","0.1184","0.0427","","","0.0764","0.0923","","","","","","0.804","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4109136","26.287","0.006","10.919","0.003","10.265","0.003","90","","90","","90","","2946.3","1.4","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 Ni O2 -","- C32 H46 N2 Ni O2 -","- C128 H184 N8 Ni4 O8 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0427","","","","0.0919","","","","","","0.816","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109137","26.674","0.008","10.956","0.004","10.273","0.004","90","","90","","90","","3002.2","1.8","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 O2 Pd -","- C32 H46 N2 O2 Pd -","- C128 H184 N8 O8 Pd4 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0609","","","","0.155","","","","","","1.326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109138","26.78","0.01","11.036","0.005","10.181","0.005","90","","90","","90","","3009","2","133.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 N2 O2 Pt -","- C32 H46 N2 O2 Pt -","- C128 H184 N8 O8 Pt4 -","4","0.5","","Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi","Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)","Journal of the American Chemical Society","2007","129","","2559","2568","10.1021/ja067022r","","","0.7107","MoKα","","","0.0423","","","","0.1128","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109381","27.4366","0.0018","16.311","0.0011","13.6021","0.0009","90","","90","","90","","6087.2","0.7","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H35 N O4 S2 -","- C33 H35 N O4 S2 -","- C264 H280 N8 O32 S16 -","8","1","","Sabrina Castellano; Hannah D. G. Fiji; Sape S. Kinderman; Masaru Watanabe; Pablo de Leon; Fuyuhiko Tamanoi; Ohyun Kwon","Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I","Journal of the American Chemical Society","2007","129","","5843","5845","10.1021/ja070274n","","","0.71073","MoKα","","0.0737","0.0524","","","0.1398","0.1547","","","","","","1.076","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109568","11.3376","0.0007","13.3755","0.0008","21.4203","0.0014","90","","90","","90","","3248.3","0.4","98","2","98","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H41 Cl2 N5 Ru -","- C36 H41 Cl2 N5 Ru -","- C144 H164 Cl8 N20 Ru4 -","4","0.5","","Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs","Decomposition of Ruthenium Olefin Metathesis Catalysts","Journal of the American Chemical Society","2007","129","","7961","7968","10.1021/ja0713577","","","0.71073","MoKα","","0.0481","0.032","","","0.0498","0.0509","","","","","","1.716","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109575","30.7329","0.0005","12.1699","0.0002","15.1349","0.0002","90","","90","","90","","5660.7","0.15","93.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H36 N2 O4 S2 -","- C31 H36 N2 O4 S2 -","- C248 H288 N16 O32 S16 -","8","1","","Daisuke Tanaka; Yoshihiro Sato; Miwako Mori","Ruthenium-Catalyzed [2 + 2 + 2] Cocyclization of Diene-yne","Journal of the American Chemical Society","2007","129","","7730","7731","10.1021/ja071954t","","","1.54187","CuKα","","","0.0495","","","","0.1457","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109589","17.4307","0.0013","5.3287","0.0003","26.7589","0.0019","90","","90","","90","","2485.4","0.3","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C104 H96 N16 O40 -","8","1","","Tamara L. Church; Christopher M. Byrne; Emil B. Lobkovsky; Geoffrey W. Coates","A New Multicomponent Reaction Catalyzed by a [Lewis Acid]+[Co(CO)4]- Catalyst: Stereospecific Synthesis of 1,3-Oxazinane-2,4-diones from Epoxides, Isocyanates, and CO","Journal of the American Chemical Society","2007","129","","8156","8162","10.1021/ja069065d","","","0.71073","MoKα","","0.0619","0.0379","","","0.0981","0.1149","","","","","","1.021","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109863","27.7307","0.0011","9.6208","0.0004","14.9968","0.0005","90","","90","","90","","4001","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H17 Cl2 N O5 W -","- C18 H17 Cl2 N O5 W -","- C144 H136 Cl16 N8 O40 W8 -","8","1","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.0468","0.041","","","0.0944","0.0977","","","","","","1.072","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109978","24.7085","0.0009","36.0065","0.0012","33.1734","0.0011","90","","90","","90","","29513.3","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H114.5 N3.5 O20 W5 Zr -","- C56 H113 N3.5 O20 W5 Zr -","- C896 H1808 N56 O320 W80 Zr16 -","16","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.0645","0.0518","","","0.1174","0.127","","","","","","1.275","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110003","15.319","0.003","16.158","0.003","13.688","0.003","90","","90","","90","","3388.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko","Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12362","12363","10.1021/ja073568h","","","0.71073","MoKα","","0.0583","0.042","","0.1175","0.1114","","","","1.048","","","","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110084","39.356","0.005","14.5154","0.0018","21.629","0.003","90","","90","","90","","12356","3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H59 B25 N3 O15 Zn3 -","- C25 H59 B25 N3 O15 Zn3 -","- C200 H472 B200 N24 O120 Zn24 -","8","1","","Omar K. Farha; Alexander M. Spokoyny; Karen L. Mulfort; M. Frederick Hawthorne; Chad A. Mirkin; Joseph T. Hupp","Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials","Journal of the American Chemical Society","2007","129","","12680","12681","10.1021/ja076167a","","","0.71073","MoKα","","0.0866","0.0655","","","0.1807","0.1892","","","","","","1.048","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110147","8.3155","0.0007","13.3176","0.0011","11.1314","0.0009","90","","90","","90","","1232.72","0.18","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs F5 Na Nb O -","- Cs F5 Na Nb O -","- Cs8 F40 Na8 Nb8 O8 -","8","1","","Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Cation-Anion Interactions and Polar Structures in the Solid State","Journal of the American Chemical Society","2007","129","","13963","13969","10.1021/ja074659h","","","0.71073","MoKα","","0.0293","0.0266","","","0.0666","0.068","","","","","","1.132","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110266","25.14","0.04","7.838","0.019","15.2","0.03","90","","90","","90","","2995","11","123.1","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","","Ryo Shintani; Soyoung Park; Tamio Hayashi","Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate","Journal of the American Chemical Society","2007","129","","14866","14867","10.1021/ja077236o","","","0.71075","MoKα","","","0.0641","","","","0.1848","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110503","20.72","0.003","7.0822","0.001","22.878","0.003","90","","90","","90","","3357.2","0.8","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C11 H9 Cd N Na O10 S -","- C11 H9 Cd N Na O10 S -","- C88 H72 Cd8 N8 Na8 O80 S8 -","8","1","","Satoshi Horike; Ryotaro Matsuda; Daisuke Tanaka; Motohiro Mizuno; Kazunaka Endo; Susumu Kitagawa","Immobilization of Sodium Ions on the Pore Surface of a Porous Coordination Polymer","Journal of the American Chemical Society","2006","128","","4222","4223","10.1021/ja0606879","","","0.7107","MoKα","","0.0744","0.074","","","0.1998","0.2001","","","","","","1.098","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110560","25.754","0.005","7.625","0.002","11.842","0.002","90","","90","","90","","2325.5","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H10 F8 S4 -","- C28 H10 F8 S4 -","- C112 H40 F32 S16 -","4","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0694","0.0482","","","0.1129","0.1242","","","","","","1.063","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110574","25.673","0.009","8.201","0.003","23.108","0.01","90","","90","","90","","4865","3","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Ag2(bptz)3][SbF6]2 . 2CH3CN","","","- C40 H30 Ag2 F12 N20 Sb2 -","- C39.98 H30 Ag2 F12 N20 Sb2 -","- C159.92 H120 Ag8 F48 N80 Sb8 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.2145","0.0996","","","0.1839","0.2281","","","","","","1.019","","","","has coordinates,has disorder","295962","2024-11-16","02:59:33",""
"4110605","16.299","0.006","7.285","0.002","16.445","0.006","90","","90","","90","","1952.6","1.1","253.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","0.5","","Soichi Sato; Kaoru Matsunaga; Ernst Horn; Naomichi Furukawa; Tatsuya Nabeshima","Isolation and Molecular Structure of the Organo-persulfuranes [12-S-6(C6)]","Journal of the American Chemical Society","2006","128","","6778","6779","10.1021/ja060497y","","","0.7107","MoKα","","","0.0386","","","","0.0361","","","","","","2.405","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110644","33.486","0.003","16.828","0.0016","16.453","0.0007","90","","90","","90","","9271.3","1.3","143","2","143","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","Fe2C60Me10Cp2_D5d_SbCl6_2__PhCN_5","","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C460 H256 Cl48 Fe8 N20 Sb8 -","8","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1035","0.0838","","","0.2245","0.2508","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110817","15.517","0.003","15.489","0.003","14.462","0.003","90","","90","","90","","3475.8","1.2","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cp*Cr(B3H8)2","Bis(octahydrotriborato)(pentamethylcyclopentadienyl)chromium(III)","","- C10 H31 B6 Cr -","- C10 H31 B6 Cr -","- C80 H248 B48 Cr8 -","8","1","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0693","0.0351","","","0.0809","0.0888","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4111073","11.6808","0.0017","21.565","0.003","19.163","0.003","90","","90","","90","","4827.1","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.0784","0.049","","","0.1004","0.1092","","","","","","1.002","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111074","11.7896","0.0013","21.747","0.002","19.296","0.002","90","","90","","90","","4947.3","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.147","0.128","","","0.2471","0.2553","","","","","","1.413","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111086","12.2465","0.0007","12.1821","0.0007","9.7334","0.0006","90","","90","","90","","1452.11","0.15","173","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-selenasiletane","","- C8 H22 Se Si3 -","- C8 H22 Se Si3 -","- C32 H88 Se4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0251","0.0223","","","0.0585","0.0599","","","","","","1.043","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111092","12.2325","0.0011","12.3562","0.0011","9.6165","0.0009","90","","90","","90","","1453.5","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-thiasiletane","","- C8 H22 S Si3 -","- C7.94 H21.82 S Si3 -","- C31.76 H87.28 S4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0354","0.0334","","","0.0913","0.0936","","","","","","1.045","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111134","26.914","0.007","12.327","0.003","33.375","0.008","90","","90","","90","","11073","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTf/BF~4~-1","","","- C42 H30 Ag B Co F4 N9 -","- C42 H30 Ag B Co F4 N9 -","- C336 H240 Ag8 B8 Co8 F32 N72 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1575","0.0975","","","0.2579","0.2856","","","","","","1.045","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111135","26.847","0.002","12.6272","0.001","33.438","0.003","90","","90","","90","","11335.6","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTF/PF~6~-1","","","- C42 H30 Ag Co F6 N9 P -","- C42 H30 Ag Co F6 N9 P -","- C336 H240 Ag8 Co8 F48 N72 P8 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0756","0.0514","","","0.1316","0.1396","","","","","","1.062","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111138","26.813","0.003","12.6035","0.0012","33.472","0.003","90","","90","","90","","11311.4","1.9","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","MOF-CoFe/AgOTf-1","","","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C344 H240 Ag8 Co4 F24 Fe4 N72 O24 S8 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0796","0.0718","","","0.1619","0.1647","","","","","","1.106","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111139","26.939","0.006","12.335","0.003","33.458","0.007","90","","90","","90","","11118","4","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","MOF-CoFe/AgBF~4~-1","","","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C336 H240 Ag8 B8 Co4 F32 Fe4 N72 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1256","0.0738","","","0.188","0.209","","","","","","1.03","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111457","23.574","0.002","14.38","0.003","31.49","0.004","90","","90","","90","","10675","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26.22 H36.44 Cl0.44 N2 O Pd -","- C26.22 H36 Cl0.44 N2 O Pd -","- C419.52 H576 Cl7.04 N32 O16 Pd16 -","16","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.0778","0.0446","","","0.1086","0.125","","","","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111657","27.382","0.004","10.834","0.002","18.963","0.005","90","","90","","90","","5625","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C184 H416 N24 Na8 Zn8 -","8","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1255","0.08","","","0.2098","0.2414","","","","","","1.093","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111669","43.32","0.01","7.1157","0.0016","15.208","0.003","90","","90","","90","","4687.9","1.8","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C68 H56 -","- C68 H56 -","- C272 H224 -","4","0.5","","Steven D. Karlen; Rafael Ortiz; Orville L. Chapman; Miguel A. Garcia-Garibay","Effects of Rotational Symmetry Order on the Solid State Dynamics of Phenylene and Diamantane Rotators","Journal of the American Chemical Society","2005","127","","6554","6555","10.1021/ja042512+","","","0.71073","MoKα","","0.1602","0.112","","","0.2496","0.2714","","","","","","1.151","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111854","20.637","0.0016","11.5631","0.0007","16.2548","0.001","90","","90","","90","","3878.8","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H58 B2 Fe N4 Na2 O4 -","- C36 H58 B2 Fe N4 Na2 O4 -","- C144 H232 B8 Fe4 N16 Na8 O16 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0674","0.0484","","","0.1333","0.1417","","","","","","1.031","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111865","12.0977","0.0009","20.9279","0.0015","14.5969","0.001","90","","90","","90","","3695.6","0.5","123","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)","","- C26 H60 N5 O12 -","- C26 H60 N5 O12 -","- C104 H240 N20 O48 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.0543","0.0465","","","0.1257","0.1316","","","","","","1.069","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111958","20.2268","0.0003","20.8583","0.0005","19.3017","0.0004","90","","90","","90","","8143.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H62 N3 Na O Zn -","- C36 H62 N3 Na O Zn -","- C288 H496 N24 Na8 O8 Zn8 -","8","1","","Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Trapping, Stabilization, and Characterization of an Enolate Anion of a 1,6-Adduct of Benzophenone Chelated by a Sodium Alkylamidozincate Cation","Journal of the American Chemical Society","2005","127","","13106","13107","10.1021/ja053756c","","","0.71073","MoKα","","0.0944","0.0502","","","0.1319","0.1469","","","","","","1.085","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4112039","18.539","0.002","17.513","0.0019","16.6622","0.0018","90","","90","","90","","5409.8","1","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H35 F3 O7 Ru S -","- C26 H35 F3 O7 Ru S -","- C208 H280 F24 O56 Ru8 S8 -","8","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0918","0.0814","","","0.1674","0.1714","","","","","","1.365","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112063","9.4347","0.0008","32.551","0.003","28.94","0.002","90","","90","","90","","8887.7","1.3","129","2","129","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C100 H108 Cu4 N8 O12 -","- C100 H108 Cu4 N8 O12 -","- C400 H432 Cu16 N32 O48 -","4","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0838","0.0423","","","0.0946","0.1163","","","","","","1.022","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112106","13.8882","0.001","14.6592","0.0012","21.181","0.004","90","","90","","90","","4312.2","0.9","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cu N3 O7 -","- C20 H17 Cu N3 O7 -","- C160 H136 Cu8 N24 O56 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0834","0.0542","","","0.118","0.1332","","","","","","1.069","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112118","12.7388","0.0008","14.1919","0.0008","22.0301","0.0013","90","","90","","90","","3982.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H41 Co F6 Fe4 P -","- C49 H41 Co F6 Fe4 P -","- C196 H164 Co4 F24 Fe16 P4 -","4","0.5","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.056","0.0448","","","0.0932","0.0976","","","","","","1.209","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112224","34.8215","0.0007","10.4972","0.0002","14.3434","0.0003","90","","90","","90","","5242.92","0.18","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H41 Cl Ir O3 P2 -","- C23 H41 Cl Ir O3 P2 -","- C184 H328 Cl8 Ir8 O24 P16 -","8","1","","Inigo Göttker-Schnetmann; Peter White; Maurice Brookhart","Iridium Bis(phosphinite)p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes","Journal of the American Chemical Society","2004","126","","1804","1811","10.1021/ja0385235","","","0.71073","MolybdenumKα","","0.058","0.036","","0.041","0.037","","","","","1.62","1.62","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112301","23.14","0.003","15.364","0.002","24.814","0.003","90","","90","","90","","8821.9","1.9","296.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H16 Cu2 F40 N8 O4 -","- C92 H16 Cu2 F40 N8 O8 -","- C368 H64 Cu8 F160 N32 O32 -","4","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.7107","MoKα","","","0.077","","","","0.096","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112923","16.2289","0.0014","12.5086","0.0013","17.0085","0.0011","90","","90","","90","","3452.7","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H45 N Ru2 -","- C39 H44 N2 Ru2 -","- C156 H176 N8 Ru8 -","4","0.5","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0885","0.0436","","","0.0878","0.1015","","","","","","0.999","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113016","15.195","0.003","12.41","0.003","12.884","0.003","90","","90","","90","","2429.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","- C120 H72 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0944","0.0372","","","0.0494","0.0531","","","","","","0.937","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113019","14.892","0.003","12.445","0.003","13.425","0.003","90","","90","","90","","2488.1","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H24 N4 O6 -","- C30 H24 N4 O6 -","- C120 H96 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0858","0.0371","","","0.074","0.0798","","","","","","0.808","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113049","11.1582"