# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:43:57+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","0.0002","10.6203","0.0002","17.8002","0.0003","90","","90","","90","","2109.38","0.07","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0684","0.0464","","","0.1001","0.1059","","","","","","1.062","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113050","11.1678","0.0002","10.6508","0.0002","17.8355","0.0003","90","","90","","90","","2121.46","0.07","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0784","0.047","","","0.096","0.1037","","","","","","1.057","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113051","11.1782","0.0002","10.6868","0.0003","17.8841","0.0003","90","","90","","90","","2136.42","0.08","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0925","0.0482","","","0.0943","0.1047","","","","","","1.041","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113052","11.1901","0.0002","10.7272","0.0002","17.9468","0.0003","90","","90","","90","","2154.31","0.07","250","2","250","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1089","0.05","","","0.0959","0.1088","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113053","11.1993","0.0002","10.7714","0.0004","18.0199","0.0003","90","","90","","90","","2173.78","0.1","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1322","0.0528","","","0.0973","0.1149","","","","","","0.979","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113054","11.2122","0.0003","10.8006","0.0003","18.0743","0.0005","90","","90","","90","","2188.77","0.1","330","2","330","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1548","0.0539","","","0.0949","0.1177","","","","","","0.942","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113068","26.6914","0.0008","7.1807","0.0003","20.6546","0.0007","90","","90","","90","","3958.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:fumaric acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride fumaric acid","","- C38 H42 Cl2 F6 N2 O6 -","- C38 H42 Cl2 F6 N2 O6 -","- C152 H168 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","1.54178","CuKα","","0.0941","0.047","","","0.0927","0.1202","","","","","","1.004","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113069","26.62","0.002","7.2147","0.0007","20.8315","0.0019","90","","90","","90","","4000.8","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:succinic acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride succinic acid","","- C38 H44 Cl2 F6 N2 O6 -","- C38 H44 Cl2 F6 N2 O6 -","- C152 H176 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.0892","0.0767","","","0.1855","0.1928","","","","","","1.195","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113146","47.804","0.005","23.067","0.002","24.033","0.003","90","","90","","90","","26501","5","163","2","163","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H114 Ce N4 Na O5 Si8 -","- C44 H72 Ce N4 Na O5 Si8 -","- C704 H1152 Ce16 N64 Na16 O80 Si128 -","16","2","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0941","0.0608","","","0.1411","0.1657","","","","","","1.065","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113182","19.699","0.002","13.0798","0.0015","17.734","0.002","90","","90","","90","","4569.3","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","01013b","","","- C29 H37 Br4 Cl3 S6 Si4 -","- C29 H37 Br4 Cl3 S6 Si4 -","- C116 H148 Br16 Cl12 S24 Si16 -","4","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0796","0.0488","","","0.1113","0.133","","","","","","1.02","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4114153","38.339","0.003","17.0503","0.0015","17.3185","0.0015","90","","90","","90","","11321","1.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H80 N4 O4 Zn2 -","- C44 H80 N4 O4 Zn2 -","- C352 H640 N32 O32 Zn16 -","8","1","","Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman","A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide","Journal of the American Chemical Society","2003","125","","11350","11359","10.1021/ja0359512","","","0.71073","MoKα","","0.0964","0.0514","","","0.1182","0.1318","","","","","","0.947","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114478","20.779","0.001","8.2761","0.0005","16.4341","0.0009","90","","90","","90","","2826.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.046","0.036","","","0.096","0.101","","","","","","1.03","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114521","23.4553","0.0002","7.9746","0.0001","17.2053","0.0002","90","","90","","90","","3218.19","0.06","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 B7 Co P -","- C13 H19 B7 Co P -","- C104 H152 B56 Co8 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.0398","0.0373","","0.0889","0.0873","","","","1.187","1.191","1.191","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114573","12.781","0.005","10.073","0.004","17.227","0.006","90","","90","","90","","2217.9","1.5","30","2","30","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Fe(phen)2(NCS)2","","","- C13 H8 Fe0.5 N3 S -","- C13 H8 Fe0.5 N3 S -","- C104 H64 Fe4 N24 S8 -","8","1","","Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau","Structural Characterization of a Photoinduced Molecular Switch","Journal of the American Chemical Society","2002","124","","194","195","10.1021/ja016980k","","","0.71073","MoKα","","0.0723","0.0464","","","0.1002","0.1111","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114574","13.121","0.003","9.954","0.003","17.163","0.004","90","","90","","90","","2241.6","1","30","2","30","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Fe(phen)2(NCS)2","","","- C13 H8 Fe0.5 N3 S -","- C13 H8 Fe0.5 N3 S -","- C104 H64 Fe4 N24 S8 -","8","1","","Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau","Structural Characterization of a Photoinduced Molecular Switch","Journal of the American Chemical Society","2002","124","","194","195","10.1021/ja016980k","","","0.71073","MoKα","","0.0843","0.0602","","","0.1335","0.1461","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114724","18.905","0.004","14.931","0.003","15.295","0.003","90","","90","","90","","4317.3","1.5","163","2","163","2","","","","","","","synthetic","5","P b c n","-P 2n 2ab","60","","","","- C33.5 H59.5 N16.5 O2.5 V2 -","- C33.5 H42 N16.5 O2.5 V2 -","- C134 H168 N66 O10 V8 -","4","0.5","","Matthew P. Shores; Jeffrey R. Long","Tetracyanide-Bridged Divanadium Complexes: Redox Switching between Strong Antiferromagnetic and Strong Ferromagnetic Coupling","Journal of the American Chemical Society","2002","124","","3512","3513","10.1021/ja025512n","","","0.71073","MoKα","","0.1486","0.0772","","0.2548","0.2184","","","","1.065","1.23","1.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114854","22.543","0.005","6.776","0.0014","28.608","0.006","90","","90","","90","","4369.9","1.6","301","2","301","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H12 F3 N3 O3 Pt S -","- C20 H12 F3 N3 O3 Pt S -","- C160 H96 F24 N24 O24 Pt8 S8 -","8","1","","Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu","Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes","Journal of the American Chemical Society","2002","124","","6506","6507","10.1021/ja025811c","","","0.71073","MoKα","","0.1239","0.0596","","","0.1805","0.2144","","","","","","0.948","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114936","18.6482","0.0005","24.2381","0.0008","10.5573","0.0003","90","","90","","90","","4771.9","0.2","200","2","200","2","","","","","","","chemical synthesis","3","P b c n","-P 2n 2ab","60","","Octaphenylbiphenylene","","- C62 H44 Cl4 -","- C62 H44 Cl4 -","- C248 H176 Cl16 -","4","0.5","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.1038","0.0626","","0.1803","0.1531","","","","1.018","1.085","1.085","","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4115015","8.26","0.002","16.961","0.003","11.406","0.002","90","","90","","90","","1598","0.6","153.2","","153.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H18 Cl4 Pt Si2 -","- C10 H18 Cl4 Pt Si2 -","- C40 H72 Cl16 Pt4 Si8 -","4","0.5","","Aroop K. Roy; Richard B. Taylor","The First Alkene-Platinum-Silyl Complexes: Lifting the Hydrosilation Mechanism Shroud with Long-Lived Precatalytic Intermediates and True Pt Catalysts","Journal of the American Chemical Society","2002","124","","9510","9524","10.1021/ja0127335","","","0.7107","MoKα","","0.0371","0.024","","0.05","","0.025","","","2.222","","","2.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115070","13.394","0.0004","9.2276","0.0004","19.3499","0.0008","90","","90","","90","","2391.54","0.16","161","2","161","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Mn(h1-OClO3)2(phen)2","","- C24 H16 Cl2 Mn N4 O8 -","- C24 H16 Cl2 Mn N4 O8 -","- C96 H64 Cl8 Mn4 N16 O32 -","4","0.5","","Anna S. Larsen; Kun Wang; Mark A. Lockwood; Gordon L. Rice; Tae-Jin Won; Scott Lovell; Martin Sadílek; František Tureček; James M. Mayer","Hydrocarbon Oxidation by Bis-μ-oxo Manganese Dimers: Electron Transfer, Hydride Transfer, and Hydrogen Atom Transfer Mechanisms","Journal of the American Chemical Society","2002","124","","10112","10123","10.1021/ja020204a","","","0.7107","MoKα","","0.1076","0.0722","","","0.1482","0.1819","","","","","","1.131","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115185","19.369","0.009","16.082","0.007","17.955","0.008","90","","90","","90","","5593","4","218","2","218","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 Cr O3 -","- C33 H34 Cr O3 -","- C264 H272 Cr8 O24 -","8","1","","Reginald H. Mitchell; Zinka Brkic; David J. Berg; Tosha M. Barclay","Effective Aromaticity of Tricarbonylchromiumbenzene, about 25 Enhanced over that of Benzene: Structural Evidence from a Complexed Benzannulene","Journal of the American Chemical Society","2002","124","","11983","11988","10.1021/ja0269542","","","0.71073","MoKα","","0.0986","0.0524","","","0.121","0.1404","","","","","","1.04","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115190","30.635","0.004","7.7786","0.001","30.476","0.004","90","","90","","90","","7262.4","1.6","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,5-diethynyl-N-(1-oxy-2,2,6,6-tetramethyl-piperidine-4-yl)-benzamide","","- C20 H23 N2 O2 -","- C20 H23 N2 O2 -","- C320 H368 N32 O32 -","16","2","","Kenji Matsuda; Matthew T. Stone; Jeffrey S. Moore","Helical Pitch of m-Phenylene Ethynylene Foldamers by Double Spin Labeling","Journal of the American Chemical Society","2002","124","","11836","11837","10.1021/ja027437m","","","0.71073","MoKα","","0.1559","0.0736","","","0.1632","0.1917","","","","","","0.952","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115323","14.1007","0.0007","28.0482","0.0013","10.9671","0.0005","90","","90","","90","","4337.5","0.4","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H30 Mo N P4 -","- C17 H34 Mo N P3 -","- C136 H272 Mo8 N8 P24 -","8","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.1006","0.0522","","","0.1561","0.1744","","","","","","1.075","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115400","22.214","0.003","19.286","0.003","18.008","0.003","90","","90","","90","","7715","2","98","2","98","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H82 B2 Br2 Co2 P6 -","- C90 H82 B2 Br2 Co2 P6 -","- C360 H328 B8 Br8 Co8 P24 -","4","0.5","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.1432","0.0695","","","0.0965","0.1012","","","","","","1.534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115470","48.422","0.007","21.958","0.003","15.814","0.002","90","","90","","90","","16814","4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C92.5 H98 B3 La N5 O12.5 -","- C92.505 H92 B3 La N5 O12.51 -","- C740.04 H736 B24 La8 N40 O100.08 -","8","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.134","0.081","","","0.164","0.192","","","","","","1.147","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115525","18.34","0.002","15.68","0.002","18.216","0.002","90","","90","","90","","5238.4","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H39 Br N8 O17 -","- C56 H36 Br N8 O17 -","- C224 H144 Br4 N32 O68 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2805","0.0651","","","0.1732","0.2389","","","","","","0.904","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115526","18.236","0.002","15.685","0.001","18.191","0.001","90","","90","","90","","5203.2","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28.5 H20 N4 O8.5 -","- C28.5 H18 N4 O8.5 -","- C228 H144 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1113","0.0792","","","0.1711","0.1884","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115527","18.257","0.004","15.668","0.003","18.333","0.004","90","","90","","90","","5244.2","1.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8.5 -","- C29 H21 N4 O8.5 -","- C232 H168 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2195","0.0775","","","0.2171","0.2392","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115528","18.246","0.004","15.668","0.003","18.237","0.004","90","","90","","90","","5213.6","1.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8 -","- C29 H21 N4 O8 -","- C232 H168 N32 O64 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.172","0.055","","","0.1343","0.2","","","","","","1.306","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115529","18.228","0.004","15.645","0.003","18.205","0.004","90","","90","","90","","5191.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H36 Cl N8 O16 -","- C56 H36 Cl N8 O16 -","- C224 H144 Cl4 N32 O64 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1395","0.0605","","","0.1629","0.2103","","","","","","1.153","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116052","12.51","0.002","9.959","0.003","16.949","0.005","90","","90","","90","","2111.6","1","20","","20","","","","","","","","","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","","Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang","X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex","Journal of the American Chemical Society","2000","122","","5742","5747","10.1021/ja9943290","","","0.642","Synchrotron","","0.069","0.069","","0.064","0.064","","","","","3.29","3.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116265","22.277","0.003","10.9507","0.0016","10.5694","0.0016","90","","90","","90","","2578.4","0.6","80","2","80","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","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","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0658","0.0503","","","0.1204","0.1273","","","","","","1.092","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116602","12.794","0.008","24.99","0.003","14.927","0.003","90","","90","","90","","4772","3","183.2","","183.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H52 O16 P4 Pt4 S8 -","- C24 O16 P4 Pt4 S8 -","- C96 O64 P16 Pt16 S32 -","4","0.5","","Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito","Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation","Journal of the American Chemical Society","1999","121","","10738","10742","10.1021/ja990596u","","","0.7107","MoKα","","","0.0342","","","","0.0374","","","","","","1.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116798","10.317","0.003","26.138","0.015","24.986","0.014","90","","90","","90","","6738","6","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H92 Li4 Mg N8 O Si8 -","- C52 H92 Li4 Mg N8 O Si8 -","- C208 H368 Li16 Mg4 N32 O4 Si32 -","4","0.5","","Alan R. Kennedy; Robert E. Mulvey; René B. Rowlings","Intermetallic Lithium-Magnesium Hexamethyldisilazide: Synthesis and Structure, Discovery of an Oxygen-Centered Variant, and a Reaction with Benzonitrile That Produces a Novel Amidinate Cage Compound with a Trigonal Bipyramidal Li4MgO Core","Journal of the American Chemical Society","1998","120","","7816","7824","10.1021/ja980561e","","","0.71069","MoKα","","0.2415","0.0571","","","0.1326","0.1783","","","","","","0.956","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116880","22.5772","0.0007","9.4092","0.0003","16.9302","0.0005","90","","90","","90","","3596.54","0.19","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H25 Cl Hg O5 -","- C18 H25 Cl Hg O5 -","- C144 H200 Cl8 Hg8 O40 -","8","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0536","0.0261","","0.0795","0.0491","","","","1.002","1.068","1.068","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4117023","14.173","0.0004","7.291","0.0002","30.045","0.0005","90","","90","","90","","3104.71","0.13","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0961","0.0659","","0.1333","0.1158","","","","1.265","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117083","15.335","0.005","20.333","0.007","23.562","0.005","90","","90","","90","","7347","4","296.2","","296.2","","","","","","","","prepared bis(2,2'-biphenylylene)sulfurane/XeF2/BF3.OEt2","6","P b c n","-P 2n 2ab","60","bis(2,2'-biphenylylene)sulfuranyl bis(tetrafluoroborate)","","","- C36 H24 B3 F12 O1.33 S1.5 -","- C36 H24 B2.5 F12.06 O1.34 S1.25 -","- C288 H192 B20 F96.48 O10.72 S10 -","8","1","","Soichi Sato; Hitomi Ameta; Ernst Horn; Ohgi Takahashi; Naomichi Furukawa","First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+","Journal of the American Chemical Society","1997","119","","12374","12375","10.1021/ja971336k","","","0.7107","MoKα","","","0.0879","","","0.0833","","","","","2.096","2.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117100","8.282","0.006","5.14","0.003","8.268","0.005","90","","90","","90","","352","0.4","156","0.2","156","0.2","","","","","","","","2","P b c n","-P 2n 2ab","60","1,1,2,3-Tetrafluoro-cyclopropene","1,1,2,3-Fluoro-cyclopropene","","- C3 F4 -","- C3 F4 -","- C12 F16 -","4","0.5","","Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison","Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases","Journal of the American Chemical Society","1996","118","","209","216","10.1021/ja952620j","","","0.71073","MoKa","","0.0323","0.0283","","0.0771","0.07","","","","1.126","1.164","1.164","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117673","9.8794","0.001","18.5005","0.0018","11.0075","0.001","90","","90","","90","","2011.9","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C27 H27 B -","- C27 H27 B -","- C108 H108 B4 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0808","0.048","","","0.0696","0.0738","","","","","","1.096","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4118191","25.6","0.003","14.6115","0.0013","13.2509","0.0011","90","","90","","90","","4956.6","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C224 H248 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.2249","0.0942","","","0.1951","0.2476","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118410","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Inherent Proton Conduction in a 2D Coordination Framework","Journal of the American Chemical Society","2012","134","","12780","12785","10.1021/ja304693r","","","0.71075","MoKα","","0.0555","0.0458","","","0.1454","0.161","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118477","24.1823","0.0014","12.2311","0.0007","24.7388","0.0013","90","","90","","90","","7317.1","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H42 N2 O9 -","- C36 H42 N2 O9 -","- C288 H336 N16 O72 -","8","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0641","0.0609","","","0.1647","0.1672","","","","","","1.054","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118721","15.0915","0.0013","11.3379","0.001","14.117","0.0012","90","","90","","90","","2415.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 F3 O -","- C15 H11 F3 O -","- C120 H88 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0548","0.0375","","","0.1175","0.1406","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118752","24.3421","0.0005","16.6719","0.0004","51.6817","0.001","90","","90","","90","","20973.9","0.8","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C704 H656 Cl20 F168 Fe8 N48 P60 Pt16 S32 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.1655","0.0845","","","0.2033","0.2341","","","","","","0.973","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118753","23.0433","0.0014","13.5812","0.0009","43.188","0.002","90","","90","","90","","13515.9","1.4","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C352 H328 F144 Fe4 N24 P40 Pt8 S16 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.1231","0.0715","","","0.1766","0.194","","","","","","1.017","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118773","26.459","0.005","12.07","0.002","31.234","0.006","90","","90","","90","","9975","3","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H72 B2 Eu O6 -","- C48 H72 B2 Eu O6 -","- C384 H576 B16 Eu8 O48 -","8","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.098","0.0603","","","0.1148","0.1304","","","","","","1.136","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4119225","13.8592","0.0008","11.2345","0.0007","7.5711","0.0005","90","","90","","90","","1178.83","0.13","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","0.5","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0481","0.0392","","","0.0947","0.0998","","","","","","1.029","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119390","11.824","0.011","37.92","0.04","34.12","0.03","90","","90","","90","","15298","3","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(II)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","","- C80 H70 F60 Fe5 N40 Sb10 -","- C80 H70 F60 Fe5 N40 Sb10 -","- C320 H280 F240 Fe20 N160 Sb40 -","4","0.5","","Helen T. Chifotides; Ian D. Giles; Kim R. Dunbar","Supramolecular Architectures with π-Acidic 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Cavities: Role of Anion-π Interactions in the Remarkable Stability of Fe(II) Metallacycles in Solution","Journal of the American Chemical Society","2013","135","","3039","3055","10.1021/ja3082473","","x-ray","0.71073","MoKα","","0.2411","0.0857","","","0.1952","0.2404","","","","","","0.714","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4120294","9.7378","0.0012","10.5173","0.0013","14.3679","0.0017","90","","90","","90","","1471.5","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","FOXCl2","","","- C2 H2 Cl2 N4 O4 -","- C2 H2 Cl2 N4 O4 -","- C16 H16 Cl16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0805","0.0386","","","0.0675","0.0825","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120296","10.1648","0.001","10.6545","0.001","14.6781","0.0013","90","","90","","90","","1589.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-dibromo-2,2-dinitroacetimidamide","","- C2 H2 Br2 N4 O4 -","- C2 H2 Br2 N4 O4 -","- C16 H16 Br16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0622","0.0534","","","0.1085","0.1126","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120322","14.6362","0.0001","10.4655","0.0001","28.9836","0.0002","90","","90","","90","","4439.57","0.06","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Au16 Ba8 P30 -","- Au16 Ba8 P30 -","- Au64 Ba32 P120 -","4","0.5","","James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir","Clathrate Ba8Au16P30: The ""Gold Standard"" for Lattice Thermal Conductivity","Journal of the American Chemical Society","2013","135","","12313","12323","10.1021/ja4052679","powder diffraction","","0.41335","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120865","17.908","0.005","13.152","0.003","12.165","0.003","90","","90","","90","","2865.2","1.3","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9.5 H9 Cl4 N4.5 O Pt -","- C9.5 H9 Cl4 N4.5 O Pt -","- C76 H72 Cl32 N36 O8 Pt8 -","8","1","","Oleg A. Mironov; Steven M. Bischof; Michael M. Konnick; Brian G. Hashiguchi; Vadim R. Ziatdinov; William A. Goddard; Mårten Ahlquist; Roy A. Periana","Using Reduced Catalysts for Oxidation Reactions: Mechanistic Studies of the ""Periana-Catalytica"" System for CH4 Oxidation","Journal of the American Chemical Society","2013","135","","14644","14658","10.1021/ja404895z","","","0.71073","MoKα","","0.0715","0.0444","","","0.1051","0.1138","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121365","45.8483","0.0014","11.6679","0.0003","15.3567","0.0005","90","","90","","90","","8215.1","0.4","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c n","-P 2n 2ab","60","","PTA-PB-166-03_7279","","- C36 H61 B2 F8 N4 P -","- C36 H61 B2 F8 N4 P -","- C288 H488 B16 F64 N32 P8 -","8","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","1.54178","Cu-Kα","","0.0895","0.0794","","","0.1689","0.1718","","","","","","2.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121452","23.505","0.003","15.5207","0.0017","20.919","0.002","90","","90","","90","","7631.5","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C272 H272 Cl16 N32 O48 -","16","2","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.0807","0.0564","","","0.1611","0.1793","","","","","","1.092","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121478","11.0403","0.0004","33.7265","0.0008","8.0786","0.0002","90","","90","","90","","3008.07","0.15","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H49 B Co N O2 P2 -","- C25 H49 B Co N O2 P2 -","- C100 H196 B4 Co4 N4 O8 P8 -","4","0.5","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","1.54178","CuKα","","0.0409","0.0384","","","0.108","0.1093","","","","","","1.083","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121490","21.584","0.008","25.618","0.009","32.868","0.011","90","","90","","90","","18174","11","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C96 H143 Cr2 N10 O0.5 -","- C96 H143 Cr2 N10 O0.5 -","- C768 H1144 Cr16 N80 O4 -","8","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1098","0.0648","","","0.1438","0.1731","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121530","6.6172","0.0003","15.1115","0.0007","37.1855","0.0018","90","","90","","90","","3718.4","0.3","83","2","83","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20.5 H19 B N O5.5 -","- C20.5 H19 B N O5.5 -","- C164 H152 B8 N8 O44 -","8","1","","Hirner, Joshua J.; Faizi, Darius J.; Blum, Suzanne A.","Alkoxyboration: Ring-Closing Addition of B-O σ Bonds across Alkynes.","Journal of the American Chemical Society","2014","136","12","4740","4745","10.1021/ja500463p","","","0.71073","MoKα","","0.0516","0.0407","","","0.0942","0.1002","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121560","28.666","0.006","31.619","0.006","26.071","0.005","90","","90","","90","","23631","8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Co16 H128 Na28 O222 P8 W36 -","- Co16 Na22 O222 P8 W36 -","- Co64 Na88 O888 P32 W144 -","4","0.5","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.135","0.0783","","","0.1568","0.1817","","","","","","1.025","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121579","11.6964","0.0003","15.8328","0.0004","11.522","0.0003","90","","90","","90","","2133.72","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cl2 N4 Zn -","- C23 H20 Cl2 N4 Zn -","- C92 H80 Cl8 N16 Zn4 -","4","0.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari","Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex.","Journal of the American Chemical Society","2014","136","15","5543","","10.1021/ja4128949","","","0.71073","MoKα","","0.0355","0.0281","","","0.069","0.0727","","","","","","1.062","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121592","4.4551","0.0009","15.982","0.003","23.91","0.005","90","","90","","90","","1702.4","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 N2 O4 S Se2 -","- C18 H12 N2 O4 S Se2 -","- C72 H48 N8 O16 S4 Se8 -","4","0.5","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0659","0.0319","","","0.0684","0.0839","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122142","16.868","0.005","17.468","0.005","18.823","0.005","90","","90","","90","","5546","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","1","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.0986","0.0777","","","0.1651","0.1763","","","","","","1.153","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122341","18.9078","0.0002","9.9378","0.0001","21.7123","0.0002","90","","90","","90","","4079.78","0.07","180","2","180","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","[Mo2(MeOPhNCHNPhOMe)2(ThCO2)2]","","","- C40 H36 Mo2 N4 O8 S2 -","- C40 H36 Mo2 N4 O8 S2 -","- C160 H144 Mo8 N16 O32 S8 -","4","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Gustafson, Terry L.; Spilker, Thomas F.","Photophysical Properties of cis-Mo2 Quadruply Bonded Complexes and Observation of Photoinduced Electron Transfer to Titanium Dioxide.","Journal of the American Chemical Society","2014","136","32","11428","11435","10.1021/ja504944d","","x-ray","0.71073","MoKα","","0.0492","0.0289","","","0.0651","0.0713","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122848","18.731","0.002","8.154","0.001","19.066","0.002","90","","90","","90","","2912","0.6","125","2","125","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1525","0.0618","","","0.1068","0.1359","","","","","","1","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122907","14.683","0.006","10.965","0.004","24.216","0.009","90","","90","","90","","3899","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H24 N4 S2 -","- C19 H24 N4 S2 -","- C152 H192 N32 S16 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1204","0.0726","","","0.1558","0.1774","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123094","24.002","0.003","15.7124","0.0016","20.586","0.002","90","","90","","90","","7763.6","1.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C284 H468 Fe8 N16 O8 Sc8 Si16 -","4","0.5","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.076","0.0632","","","0.1593","0.1656","","","","","","1.137","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123775","16.884","0.002","8.4266","0.0011","30.211","0.004","90","","90","","90","","4298.3","0.9","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C128 H128 Hg8 I16 N32 Se16 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0904","0.0502","","","0.1081","0.1216","","","","","","0.988","","","","has coordinates","137977","2020-10-21","18:00:00",""
"4123822","16.0184","0.0007","19.8059","0.0008","32.6528","0.0014","90","","90","","90","","10359.4","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C50 H64 Co N4 O -","- C50 H64 Co N4 O -","- C400 H512 Co8 N32 O8 -","8","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0974","0.0789","","","0.1916","0.2025","","","","","","1.103","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4124201","16.8964","0.0009","21.2575","0.0012","24.1461","0.0013","90","","90","","90","","8672.7","0.8","140","1","140","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H128 Cl N8 Np O -","- C84 H120 Cl N8 Np -","- C336 H480 Cl4 N32 Np4 -","4","0.5","","Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.","A Linear trans-Bis(imido) Neptunium(V) Actinyl Analog: Np(V)(NDipp)2((t)Bu2bipy)2Cl (Dipp = 2,6-(i)Pr2C6H3).","Journal of the American Chemical Society","2015","137","30","9583","9586","10.1021/jacs.5b06667","","","0.71073","MoKα","","0.058","0.0441","","","0.0946","0.0993","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4125098","8.8452","0.0002","16.0629","0.0011","13.7551","0.0002","90","","90","","90","","1954.32","0.14","93","2","93","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H32 N6 O5 -","- C14 H32 N6 O5 -","- C56 H128 N24 O20 -","4","0.5","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0403","0.0359","","","0.086","0.0886","","","","","","1.078","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125311","11.4542","0.0009","18.779","0.0015","9.4302","0.0007","90","","90","","90","","2028.4","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Cpting-07262-Pure1","maimone76","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0343","0.0336","","","0.0903","0.0911","","","","","","1.076","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125495","11.1336","0.001","15.7206","0.0016","11.0314","0.0017","90","","90","","90","","1930.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 N O4 S -","- C9 H10 N O4 S -","- C72 H80 N8 O32 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1504","0.125","","","0.2999","0.3582","","","","","","1.267","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125507","29.3271","0.0005","8.3264","0.0001","20.8885","0.0003","90","","90","","90","","5100.75","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30.5 H21.5 B Br2 Cl1.5 -","- C30.5 H21.5 B Br2 Cl1.5 -","- C244 H172 B8 Br16 Cl12 -","8","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0574","0.0529","","","0.125","0.1283","","","","","","1.164","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125524","24.7752","0.0015","13.4269","0.0008","27.4783","0.0014","90","","90","","90","","9140.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 B N2 O2 S -","- C15 H15 B N2 O2 S -","- C360 H360 B24 N48 O48 S24 -","24","3","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.173","0.0848","","","0.1521","0.1913","","","","","","1.045","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125550","13.194","0.003","38.114","0.007","14.65","0.003","90","","90","","90","","7367","3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H16 F4 N4 -","- C22 H16 F4 N4 -","- C352 H256 F64 N64 -","16","2","","Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin","Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12585","","","0.71073","MoKα","","0.0963","0.0537","","","0.1132","0.1274","","","","","","1.093","","","","has coordinates","192604","2020-10-21","18:00:00",""
"4126081","32.31","0.004","14.892","0.002","17.754","0.002","90","","90","","90","","8542.5","1.8","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C216 H432 B240 -","24","3","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","0.71073","MoKα","","0.1104","0.0586","","","0.1267","0.1489","","","","","","1.036","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126292","35.635","0.003","7.2343","0.0005","19.7089","0.0015","90","","90","","90","","5080.8","0.7","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H40 B N O Si2 -","- C22 H40 B N O Si2 -","- C176 H320 B8 N8 O8 Si16 -","8","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.0733","0.051","","","0.1063","0.1159","","","","","","1.055","","","","has coordinates,has disorder","198959","2020-10-21","18:00:00",""
"4126424","28.3815","0.0006","47.031","0.0007","46.147","0.002","90","","90","","90","","61597","3","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Cl12 S40 -","- C400 H600 Ag141 Cl12 S40 -","- C1600 H2400 Ag564 Cl48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1089","0.074","","","0.1817","0.2214","","","","","","1.015","","","","has coordinates,has disorder","201036","2020-10-21","18:00:00",""
"4126425","28.4956","0.0006","46.9834","0.0006","45.952","0.0007","90","","90","","90","","61521.5","1.8","103","4","103","4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Br12 S40 -","- C400 H600 Ag141 Br12 S40 -","- C1600 H2400 Ag564 Br48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1399","0.085","","","0.2206","0.2588","","","","","","1.071","","","","has coordinates","201037","2020-10-21","18:00:00",""
"4126582","16.582","0.0018","11.9644","0.0016","16.272","0.002","90","","90","","90","","3228.3","0.7","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","0.71073","MoKα","","0.1748","0.0937","","","0.2503","0.3389","","","","","","1.003","","","","has coordinates","201944","2020-10-21","18:00:00",""
"4126716","10.3572","0.0011","13.5376","0.0018","12.8603","0.0012","90","","90","","90","","1803.2","0.3","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","0.5","","Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R.","Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07884","","","0.71073","MoKα","","0.0485","0.0428","","","0.1175","0.1218","","","","","","1.049","","","","has coordinates","203010","2020-10-21","18:00:00",""
"4127016","6.7331","0.0001","26.9421","0.0004","7.5727","0.0001","90","","90","","90","","1373.72","0.03","200","0.1","200","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C4 H13 Ag2 B10 N S2 -","- C4 H13 Ag2 B10 N S2 -","- C16 H52 Ag8 B40 N4 S8 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.088","0.0901","","","","","","1.045","","","","has coordinates,has disorder","205089","2020-10-21","18:00:00",""
"4127183","13.8856","0.0008","17.4892","0.001","18.1198","0.001","90","","90","","90","","4400.4","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49 H66 N4 O5 Sr -","- C49 H66 N4 O5 Sr -","- C196 H264 N16 O20 Sr4 -","4","0.5","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0755","0.0508","","","0.1287","0.141","","","","","","1.061","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127186","43.4083","0.0019","15.7004","0.0007","16.1394","0.0006","90","","90","","90","","10999.4","0.8","170.1","","170","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C60 H82 O10 -","- C60 H82 O10 -","- C480 H656 O80 -","8","1","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Zhao, Run; Liu, Ming; Huang, Feihe","Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13156","","","1.54184","CuKα","","0.1147","0.0663","","","0.1638","0.2013","","","","","","1.006","","","","has coordinates","206558","2020-10-21","18:00:00",""
"4127195","5.0137","0.0004","13.9038","0.0011","11.1839","0.0007","90","","90","","90","","779.62","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- F Fe Li0.885 Na0.726 O4 P -","- F Fe Li0.885 Na0.726 O4 P -","- F8 Fe8 Li7.08 Na5.808 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.0447","0.0447","","0.0795","0.0795","","","","24.52","","","","","","","has coordinates","206810","2020-10-21","18:00:00",""
"4127196","5.1288","0.0004","14.0853","0.0013","11.404","0.0008","90","","90","","90","","823.83","0.12","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F Fe Na O4 P -","- F Fe Na O4 P -","- F8 Fe8 Na8 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.032","0.032","","0.063","0.063","","","","47.14","","","","","","","has coordinates","206811","2020-10-21","18:00:00",""
"4127237","19.8397","0.0006","16.8728","0.0005","19.6562","0.0007","90","","90","","90","","6579.9","0.4","193","","","","","","","","","","see text","2","P b c n","-P 2n 2ab","60","","","","- C78 H48 -","- C78 H48 -","- C312 H192 -","4","0.5","","Xu, Kun; Urgel, José I; Eimre, Kristjan; Di Giovannantonio, Marco; Keerthi, Ashok; Komber, Hartmut; Wang, Shiyong; Narita, Akimitsu; Berger, Reinhard; Ruffieux, Pascal; Pignedoli, Carlo A.; Liu, Junzhi; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","On-Surface Synthesis of a Nonplanar Porous Nanographene.","Journal of the American Chemical Society","2019","141","19","7726","7730","10.1021/jacs.9b03554","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","223201","2020-10-21","18:00:00",""
"4127774","7.9408","0.0003","16.135","0.0007","11.2323","0.0004","90","","90","","90","","1439.14","0.1","298","0.1","298","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0475","0.0412","","","0.1016","0.1067","","","","","","1.122","","","","has coordinates","220945","2020-10-21","18:00:00",""
"4128134","22.2409","0.0011","16.5648","0.0011","22.3829","0.0013","90","","90","","90","","8246.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C256 H528 Al8 Li8 O32 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.1097","0.078","","","0.2033","0.2225","","","","","","1.055","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128272","25.4036","0.0013","8.6525","0.0004","9.0953","0.0004","90","","90","","90","","1999.19","0.16","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0541","0.0437","","","0.1035","0.1098","","","","","","1.032","","","","has coordinates","221394","2020-10-21","18:00:00",""
"4128344","26.1116","0.0003","12.5972","0.0002","14.3418","0.0002","90","","90","","90","","4717.49","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H34 Cl3 P2 Pt -","- C19 H34 Cl3 P2 Pt -","- C152 H272 Cl24 P16 Pt8 -","8","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","x-ray","1.54184","CuKα","","0.0612","0.0507","","","0.1271","0.134","","","","","","1.043","","","","has coordinates","221467","2020-10-21","18:00:00",""
"4128490","16.0818","0.0005","13.6449","0.0005","27.3122","0.0008","90","","90","","90","","5993.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H96 As2 N6 Ni Si4 -","- C52 H96 As2 N6 Ni Si4 -","- C208 H384 As8 N24 Ni4 Si16 -","4","0.5","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.1","0.0715","","","0.1853","0.2146","","","","","","1.051","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128498","22.4623","0.0012","11.2375","0.0006","11.9368","0.0007","90","","90","","90","","3013.1","0.3","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0624","0.0421","","","0.1053","0.1127","","","","","","1.04","","","","has coordinates","221582","2020-10-21","18:00:00",""
"4128552","42.9147","0.0015","15.7637","0.0005","16.3301","0.0005","90","","90","","90","","11047.2","0.6","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1229","0.0715","","","0.1553","0.185","","","","","","1.024","","","","has coordinates,has disorder","221632","2020-10-21","18:00:00",""
"4128554","43.026","0.002","15.8064","0.0008","16.2928","0.0008","90","","90","","90","","11080.5","0.9","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1004","0.068","","","0.1667","0.1902","","","","","","1.036","","","","has coordinates","221634","2020-10-21","18:00:00",""
"4128957","14.5632","0.0007","12.3263","0.0006","23.3463","0.0011","90","","90","","90","","4190.9","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H29 Cl2 N3 Ni S2 -","- C17 H29 Cl2 N3 Ni S2 -","- C136 H232 Cl16 N24 Ni8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","","1.54178","CuKα","","0.0631","0.0595","","","0.1521","0.1548","","","","","","1.082","","","","has coordinates","221989","2020-10-21","18:00:00",""
"4129012","23.3425","0.0006","17.6797","0.0004","24.6828","0.0008","90","","90","","90","","10186.3","0.5","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C112 H138 B2 N10 Si4 -","- C112 H138 B2 N10 Si4 -","- C448 H552 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","0.71073","MoKα","","0.1466","0.0851","","","0.2033","0.2381","","","","","","1.051","","","","has coordinates,has disorder","222019","2020-10-21","18:00:00",""
"4129013","23.0452","0.0002","17.8779","0.0002","25.1244","0.0003","90","","90","","90","","10351.2","0.19","130","","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C113.34 H138.02 B2 N10 Si4 -","- C113.34 H138.02 B2 N10 Si4 -","- C453.36 H552.08 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.0693","0.061","","","0.1648","0.1707","","","","","","1.048","","","","has coordinates,has disorder","222020","2020-10-21","18:00:00",""
"4129014","23.2625","0.0004","17.5096","0.0008","24.5181","0.0006","90","","90","","90","","9986.6","0.5","150.15","","150.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C112 H140 B2 N8 O Si4 -","- C112 H140 B2 N8 O Si4 -","- C448 H560 B8 N32 O4 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.057","0.0443","","","0.1232","0.1321","","","","","","1.051","","","","has coordinates,has disorder","222021","2020-10-21","18:00:00",""
"4129034","22.1638","0.0012","15.0475","0.0009","7.499","0.0004","90","","90","","90","","2501","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H13 I O -","- C14 H13 I O -","- C112 H104 I8 O8 -","8","1","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0621","0.056","","","0.1303","0.1341","","","","","","1.138","","","","has coordinates,has disorder","222041","2020-10-21","18:00:00",""
"4129478","15.5113","0.0017","21.773","0.002","17.3548","0.0019","90","","90","","90","","5861.2","1.1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H46 D3 Ni O3 P2 -","- C28 H46 D3 Ni O3 P2 -","- C224 H368 D24 Ni8 O24 P16 -","8","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.1292","0.0827","","","0.1937","0.2166","","","","","","1.115","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129519","19.1564","0.0004","7.3931","0.0001","11.2579","0.0002","90","","90","","90","","1594.4","0.05","200","","200","","","","","","","","local","4","P b c n","-P 2n 2ab","60","","","","- C15 H8 Fe2 O7 -","- C15 H8 Fe2 O7 -","- C60 H32 Fe8 O28 -","4","0.5","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0337","0.0268","","0.0718","0.0679","0.0718","","","","","","1.0123","","","","has coordinates","240227","2020-10-21","18:00:00",""
"4129537","20.089","0.006","11.878","0.004","14.2","0.004","90","","90","","90","","3388.4","1.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N6 -","- C48 H30 N6 -","- C192 H120 N24 -","4","0.5","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0941","0.0606","","","0.1569","0.18","","","","","","1.07","","","","has coordinates","240240","2020-10-21","18:00:00",""
"4129566","23.723","","9.233","","15.182","","90","","90","","90","","3325.38","","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.1154","0.0753","","","0.2037","0.2558","","","","","","1.053","","","","has coordinates","240263","2020-10-21","18:00:00",""
"4129667","23.839","0.003","20.368","0.002","19.348","0.002","90","","90","","90","","9394.5","1.8","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O0.4 P6 Ru -","- C114 H90 N9 O0.4 P6 Ru -","- C456 H360 N36 O1.6 P24 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0695","0.0412","","","0.0827","0.0933","","","","","","1.011","","","","has coordinates","240341","2020-10-21","18:00:00",""
"4129671","23.807","0.006","20.467","0.005","19.353","0.005","90","","90","","90","","9430","4","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O Os P6 -","- C114 H90 N9 O Os P6 -","- C456 H360 N36 O4 Os4 P24 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0463","0.0296","","","0.06","0.0693","","","","","","1.037","","","","has coordinates","240345","2020-10-21","18:00:00",""
"4129895","18.1548","0.0011","10.5369","0.0007","9.3957","0.0005","90","","90","","90","","1797.35","0.19","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H2 Br2 F10 Te -","- C16 H2 Br2 F10 Te -","- C64 H8 Br8 F40 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0315","0.021","","","0.0422","0.0452","","","","","","1.027","","","","has coordinates","240543","2020-10-21","18:00:00",""
"4130022","17.3619","0.001","20.3198","0.0013","13.4759","0.0008","90","","90","","90","","4754.2","0.5","149","2","148.82","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28.5 H9 B Cl F10 O2 -","- C28.5 H9 B Cl F10 O2 -","- C228 H72 B8 Cl8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1277","0.0485","","","0.0885","0.1149","","","","","","1.0415","","","","has coordinates,has disorder","240616","2020-10-21","18:00:00",""
"4130092","24.3659","0.0011","10.1608","0.0005","7.6406","0.0003","90","","90","","90","","1891.64","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0477","0.0476","","","0.1069","0.1071","","","","","","1.184","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130371","22.2976","0.0005","21.8242","0.0005","23.9794","0.0005","90","","90","","90","","11669","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64.5 H82 Fe N2 O4 Si -","- C64.5 H82 Fe N2 O4 Si -","- C516 H656 Fe8 N16 O32 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0693","0.045","","","0.0994","0.1109","","","","","","1.029","","","","has coordinates,has disorder","240831","2020-10-21","18:00:00",""
"4130443","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","290","","290","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.065","0.0636","","","0.1602","0.1613","","","","","","1.142","","","","has coordinates","240876","2020-10-21","18:00:00",""
"4130444","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","77","","77","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.0655","0.065","","","0.1513","0.1515","","","","","","1.077","","","","has coordinates","240877","2020-10-21","18:00:00",""
"4130658","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","241050","2020-10-21","18:00:00",""
"4130855","16.3196","0.0006","19.5049","0.0007","20.4967","0.0008","90","","90","","90","","6524.3","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H42 Br Cu N3 O0.5 S -","- C32 H42 Br Cu N3 O0.5 S -","- C256 H336 Br8 Cu8 N24 O4 S8 -","8","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0507","0.0428","","","0.1093","0.1176","","","","","","1.026","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4130908","31.316","0.004","8.2742","0.0012","16.832","0.002","90","","90","","90","","4361.4","1","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H32 B N -","- C27 H32 B N -","- C216 H256 B8 N8 -","8","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.1111","0.0513","","","0.1045","0.1276","","","","","","1.007","","","","has coordinates","241262","2020-10-21","18:00:00",""
"4131438","67.017","0.003","31.4138","0.0015","32.1376","0.0017","90","","90","","90","","67658","6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C2344 H2320 Cl72 N264 O400.8 Ru24 -","4","0.5","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1581","0.1203","","","0.3444","0.3671","","","","","","1.306","","","","has coordinates,has disorder","241636","2020-10-21","18:00:00",""
"4131453","9.9421","0.0017","18.521","0.003","10.742","0.0019","90","","90","","90","","1978","0.6","123","2","123","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C28 H27 -","- C28 H27 -","- C112 H108 -","4","0.5","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0454","0.0411","","","0.1125","0.117","","","","","","1.053","","","","has coordinates","241651","2020-10-21","18:00:00",""
"4131496","28.482","0.008","7.523","0.002","17.072","0.005","90","","90","","90","","3658","1.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C192 H120 F24 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0903","0.0611","","","0.1407","0.155","","","","","","1.068","","","","has coordinates","241686","2020-10-21","18:00:00",""
"4132295","13.1526","0.0002","19.5199","0.0003","12.3721","0.0002","90","","90","","90","","3176.38","0.09","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C42 H18 F12 -","- C42 H18 F12 -","- C168 H72 F48 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0341","0.0339","","","0.0929","0.0931","","","","","","1.109","","","","has coordinates","242292","2020-10-21","18:00:00",""
"4132517","32.625","0.002","9.9735","0.0007","28.5895","0.0014","90","","90","","90","","9302.6","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H82 Ni2 O2 P2 -","- C51 H82 Ni2 O2 P2 -","- C408 H656 Ni16 O16 P16 -","8","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.204","0.0682","","","0.0982","0.1356","","","","","","0.936","","","","has coordinates,has disorder","242487","2020-10-21","18:00:00",""
"4132667","29.725","0.003","8.1656","0.0008","18.9301","0.0018","90","","90","","90","","4594.8","0.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16.67 H22.67 B0.67 N2 -","- C16.6667 H22.6667 B0.666667 N2 -","- C200 H272 B8 N24 -","12","1.5","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0579","0.046","","","0.1105","0.1178","","","","","","1.072","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132677","15.482","0.003","16.274","0.003","15.976","0.003","90","","90","","90","","4025.2","1.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MeMeCH2x2DMF","","","- C46 H54 N2 O10 -","- C46 H54 N2 O10 -","- C184 H216 N8 O40 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0559","0.0506","","","0.1145","0.1161","","","","","","1.238","","","","has coordinates","242604","2020-10-21","18:00:00",""
"4133012","23.6242","0.0015","19.1081","0.0009","22.3852","0.001","90","","90","","90","","10105","0.9","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H64 B11 N O7 -","- C46 H64 B11 N O7 -","- C368 H512 B88 N8 O56 -","8","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1287","0.0796","","","0.2146","0.2654","","","","","","1.043","","","","has coordinates,has disorder","242865","2020-10-21","18:00:00",""
"4133069","16.8056","0.0003","12.9548","0.0002","25.241","0.0005","90","","90","","90","","5495.3","0.17","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H58 F12 Fe2 N10 O11 S4 -","- C38 H58 F12 Fe2 N10 O11 S4 -","- C152 H232 F48 Fe8 N40 O44 S16 -","4","0.5","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0352","0.0301","","","0.0715","0.0746","","","","","","1.029","","","","has coordinates,has disorder","242915","2020-10-21","18:00:00",""
"4133175","14.10475","0.00017","22.8433","0.0002","17.8727","0.0002","90","","90","","90","","5758.57","0.11","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C192 H336 Cu4 K8 N48 O32 -","4","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.078","0.0674","","","0.1931","0.2076","","","","","","1.092","","","","has coordinates,has disorder","243011","2020-10-21","18:00:00",""
"4133822","35.075","0.002","9.9908","0.0006","8.8263","0.0006","90","","90","","90","","3093","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H34 N4 O -","- C39 H34 N4 O -","- C156 H136 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0881","0.0639","","","0.1422","0.1524","","","","","","1.125","","","","has coordinates","245492","2020-10-21","18:00:00",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134248","27.3673","0.0005","24.3761","0.0005","25.0658","0.0004","90","","90","","90","","16721.6","0.5","112","1","112","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C85 H69 Cl3 N8 -","- C85 H69 Cl3 N8 -","- C680 H552 Cl24 N64 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1526","0.1358","","","0.4101","0.427","","","","","","1.637","","","","has coordinates,has disorder","248454","2020-10-21","18:00:00",""
"4134322","27.5137","0.0008","13.8315","0.0005","7.3394","0.0002","90","","90","","90","","2793.05","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H33 N5 O5 -","- C31 H33 N5 O5 -","- C124 H132 N20 O20 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0788","0.0684","","","0.1617","0.1667","","","","","","1.212","","","","has coordinates,has disorder","248667","2020-10-21","18:00:00",""
"4134611","26.4904","0.001","41.3829","0.0015","30.8788","0.0012","90","","90","","90","","33851","2","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","PFC-13","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1152 H720 N144 O288 -","48","6","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","0.71073","MoKα","","0.1345","0.0783","","","0.2187","0.2622","","","","","","1.032","","","","has coordinates","250013","2020-10-21","18:00:00",""
"4134784","39.604","0.002","12.148","0.0006","15.6435","0.001","90","","90","","90","","7526.2","0.7","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H60 Br Co N3 O -","- C38 H60 Br Co N3 O -","- C304 H480 Br8 Co8 N24 O8 -","8","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.198","0.1156","","","0.1787","0.199","","","","","","1.203","","","","has coordinates","251090","2020-10-21","18:00:00",""
"4134832","11.8059","0.0004","20.8085","0.0008","43.452","0.0016","90","","90","","90","","10674.6","0.7","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0601","0.0366","","","0.0789","0.0874","","","","","","1.065","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4135048","21.6","0.004","15","0.003","20.22","0.004","90","","90","","90","","6551","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) methanol solvate","","- C59.5 H62 Br4 Co2 F12 N8 O6.5 P2 -","- C57 H52 Br4 Co2 F12 N8 O4 P2 -","- C228 H208 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710918","Synchrotron","","0.0873","0.0645","","","0.1975","0.2212","","","","","","1.079","","","","has coordinates,has disorder","252573","2020-10-21","18:00:00",""
"4135050","18.36149","0.00017","7.57018","0.00007","22.8673","0.0002","90","","90","","90","","3178.55","0.05","130","0.1","130","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","""3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6' -tetraol diethyl ether solvate""","","- C29 H40 Br4 O6 -","- C29 H40 Br4 O6 -","- C116 H160 Br16 O24 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0596","0.06","","","","","","1.107","","","","has coordinates","252575","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4300116","14.384","0.004","10.265","0.005","23.571","0.005","90","","90","","90","","3480","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","rac-(mu!2$-Oxo)-bis[dichloro-(1,5,6-trimethylbenzimidazole)-(pyridine) -oxo-rhenium(v)]","","- C30 H34 Cl4 N6 O3 Re2 -","- C30 H34 Cl4 N6 O3 Re2 -","- C120 H136 Cl16 N24 O12 Re8 -","4","0.5","","Enzo Alessio; Ennio Zangrando; Elisabetta Iengo; Michela Macchi; Patricia A. Marzilli; Luigi G. Marzilli","Understanding the Orientation and Dynamic Motion of Planar Heterocyclic N-Donor Ligands by Exploiting the Symmetry Properties of Mixed-Ligand μ-Oxorhenium(V) Dinuclear Complexes [ReOCl2(L)(L')]-O-[ReOCl2(L)(L')]: A Combined X-ray Structural and Dynamic NMR Investigation","Inorganic Chemistry","2000","39","","294","303","10.1021/ic990858t","","","0.71073","MoKα","","0.1816","0.0628","","0.0965","0.0831","","","","0.836","1.154","1.154","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300129","25.5665","0.0007","16.8041","0.0005","17.1866","0.0005","90","","90","","90","","7383.7","0.4","213","2","213","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Mo(CO)(SeC6H2-2,4,6-Pri3)(S2C2Me2)2](Et4N)","","- C32 H55 Mo N O S4 Se -","- C32 H55 Mo N O S4 Se -","- C256 H440 Mo8 N8 O8 S32 Se8 -","8","1","","Booyong S. Lim; James P. Donahue; R. H. Holm","Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family","Inorganic Chemistry","2000","39","","263","273","10.1021/ic9908672","","","0.71073","MoKα","","0.072","0.0361","","0.079","0.069","","","","1.033","1.094","1.094","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300161","10.998","0.001","12.154","0.001","20.084","0.002","90","","90","","90","","2684.6","0.4","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H42 N4 Si4 Sn -","- C16 H42 N4 Si4 Sn -","- C64 H168 N16 Si16 Sn4 -","4","0.5","","Stephen R. Foley; Yuanlin Zhou; Glenn P. A. Yap; Darrin S. Richeson","Synthesis of MII[N(SiMe3)2][Me3SiNC(tBu)NSiMe3] (M = Sn, Ge) from Amidinate Precursors: Active Catalysts for Phenyl Isocyanate Cyclization","Inorganic Chemistry","2000","39","","924","929","10.1021/ic991004b","","","0.71073","MoKα","","0.0456","0.0362","","","0.0975","0.1002","","","","","","1.058","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300170","15.121","0.003","16.777","0.003","14.628","0.003","90","","90","","90","","3710.9","1.2","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H43 I3 N4 Ni O2 -","- C35 H43 I3 N4 Ni O2 -","- C140 H172 I12 N16 Ni4 O8 -","4","0.5","","Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch","Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model","Inorganic Chemistry","2000","39","","1128","1134","10.1021/ic9910209","","","1.54178","CuKα","","0.0704","0.0536","","","0.1256","0.1359","","","","","","1.067","","","","has coordinates","295972","2024-11-17","20:06:45",""
"4300171","15.2236","0.0006","16.7638","0.0007","14.6289","0.0006","90","","90","","90","","3733.4","0.3","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H43 I3 N4 O2 Pd -","- C35 H43 I3 N4 O2 Pd -","- C140 H172 I12 N16 O8 Pd4 -","4","0.5","","Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch","Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model","Inorganic Chemistry","2000","39","","1128","1134","10.1021/ic9910209","","","0.71073","MoKα","","0.067","0.0364","","","0.085","0.0935","","","","","","1.013","","","","has coordinates","179039","2020-10-21","18:00:00",""
"4300207","25.4814","0.0005","16.9145","0.0002","17.1093","0.0004","90","","90","","90","","7374.2","0.2","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H55 N O S5 W -","- C32 H55 N O S5 W -","- C256 H440 N8 O8 S40 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes","Inorganic Chemistry","2000","39","","1275","1281","10.1021/ic991153u","","","0.71073","MoKα","","0.0786","0.0612","","0.1171","0.1132","","","","1.191","1.299","1.299","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300209","25.5714","0.0007","16.8328","0.0004","17.2163","0.0005","90","","90","","90","","7410.6","0.3","213","2","213","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H55 N O S4 Se W -","- C32 H55 N O S4 Se W -","- C256 H440 N8 O8 S32 Se8 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes","Inorganic Chemistry","2000","39","","1275","1281","10.1021/ic991153u","","","0.71073","MoKα","","0.0393","0.0286","","","0.0728","0.0788","","","","","","1.019","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4300375","18.458","0.002","12.0616","0.0014","11.4859","0.0014","90","","90","","90","","2557.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 Co3 N4 O12 -","- C24 H20 Co3 N4 O12 -","- C96 H80 Co12 N16 O48 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050999x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300376","18.2119","0.0012","11.6847","0.0007","12.0688","0.0006","90","","90","","90","","2568.2","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 Cu3 N4 O12 -","- C24 H20 Cu3 N4 O12 -","- C96 H80 Cu12 N16 O48 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050999x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300445","19.382","0.004","17.872","0.004","17.842","0.004","90","","90","","90","","6180.4","2.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H54 Fe S2 Si2 -","- C24 H54 Fe S2 Si2 -","- C192 H432 Fe8 S16 Si16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","0.0633","","","0.1602","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300551","13.84","0.03","23.17","0.04","23.38","0.04","90","","90","","90","","7499","22","110","2","393","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H44 N7 O3 Pt -","- C39 H42 N7 O2 Pt -","- C312 H336 N56 O16 Pt8 -","8","1","","Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary","","Inorganic Chemistry","2006","","","","","10.1021/ic051518c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300819","18.025","0.0009","8.707","0.0004","20.7543","0.001","90","","90","","90","","3257.3","0.3","150","1","150","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 B2 Fe I2 N12 -","- C30 H26 B2 Fe I2 N12 -","- C120 H104 B8 Fe4 I8 N48 -","4","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0364","0.0337","","","0.075","0.0765","","","","","","1.057","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300944","21.9415","0.001","7.7878","0.0003","19.6649","0.0009","90","","90","","90","","3360.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N O7 Pr -","- C14 H12 N O7 Pr -","- C112 H96 N8 O56 Pr8 -","8","1","","de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","","","","","10.1021/ic048755k","","","","","","","","","","","","","","","","","","","","","has coordinates","192138","2020-10-21","18:00:00",""
"4301281","11.9587","0.001","25.393","0.002","22.5542","0.0019","90","","90","","90","","6849","1","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C74 H60 B2 Cd Cl4 F8 Fe4 N8 -","- C74 H60 B2 Cd Cl4 F8 Fe4 N8 -","- C296 H240 B8 Cd4 Cl16 F32 Fe16 N32 -","4","0.5","","Nabanita Sadhukhan; Jitendra K. Bera","Mixed-Metal Assemblies Involving Ferrocene-Naphthyridine Hybrids","Inorganic Chemistry","2009","48","","978","990","10.1021/ic801586d","","","0.71073","MoKα","","0.0521","0.0374","","","0.0831","0.0914","","","","","","1.057","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4301447","28.8215","0.0018","6.9172","0.0004","18.2398","0.0011","90","","90","","90","","3636.4","0.4","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","eisjs20","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","1","","Jacob Schneider; Pingwu Du; Xiaoyong Wang; William W. Brennessel; Richard Eisenberg","Synthesis, Electrochemistry, Photophysics, and Solvatochromism in New Cyclometalated 6-Phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C^N^N) Platinum(II) Thiophenolate Chromophores","Inorganic Chemistry","2009","48","","1498","1506","10.1021/ic801767q","","","0.71073","MoKα","","0.0513","0.0427","","","0.1103","0.1173","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301610","12.759","0.0003","9.307","0.0002","18.244","0.0002","90","","90","","90","","2166.44","0.07","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H38 N4 W -","- C16 H36 N4 W -","- C64 H144 N16 W4 -","4","0.5","","Hamid Choujaa; Samuel D. Cosham; Andrew L. Johnson; Graeme R. Kafka; Mary F. Mahon; Sarah L. Masters; Kieran C. Molloy; David W. H. Rankin; Heather E. Robertson; Derek A. Wann","Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2 and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species","Inorganic Chemistry","2009","48","","2289","2299","10.1021/ic8021134","","","0.71073","MoKα","","0.0551","0.0304","","","0.0708","0.082","","","","","","1.048","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4302007","8.892","0.002","19.643","0.005","10.076","0.002","90","","90","","90","","1759.9","0.7","293","2","123.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","[Sm(H2O)4(C6NO2H4)2]n.nCl","[Sm(H2O)4(C6NO2H4)2]n.nCl","","- C12 H16 Cl N2 O8 Sm -","- C12 H12 Cl N2 O8 Sm -","- C48 H48 Cl4 N8 O32 Sm4 -","4","0.5","","Wentong Chen; Shunichi Fukuzumi","Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes","Inorganic Chemistry","2009","48","","3800","3807","10.1021/ic9000279","","","0.71073","MoKα","","0.0247","0.0221","","","0.0519","0.0535","","","","","","1.154","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302008","8.882","0.002","19.625","0.004","10.048","0.002","90","","90","","90","","1751.5","0.6","293","2","123.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","[Eu(H2O)4(C6NO2H4)2]n.nCl","[Eu(H2O)4(C6NO2H4)2]n.nCl","","- C12 H16 Cl Eu N2 O8 -","- C12 H12 Cl Eu N2 O8 -","- C48 H48 Cl4 Eu4 N8 O32 -","4","0.5","","Wentong Chen; Shunichi Fukuzumi","Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes","Inorganic Chemistry","2009","48","","3800","3807","10.1021/ic9000279","","","0.71073","MoKα","","0.036","0.0313","","","0.0625","0.0647","","","","","","1.194","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302009","8.869","0.002","19.589","0.004","10.001","0.002","90","","90","","90","","1737.5","0.6","293","2","123.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","[Tb(H2O)4(C6NO2H4)2]n.nCl","[Tb(H2O)4(C6NO2H4)2]n.nCl","","- C12 H16 Cl N2 O8 Tb -","- C12 H12 Cl N2 O8 Tb -","- C48 H48 Cl4 N8 O32 Tb4 -","4","0.5","","Wentong Chen; Shunichi Fukuzumi","Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes","Inorganic Chemistry","2009","48","","3800","3807","10.1021/ic9000279","","","0.71073","MoKα","","0.0232","0.0217","","","0.0499","0.0507","","","","","","1.161","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302010","8.854","0.004","19.535","0.009","9.946","0.004","90","","90","","90","","1720.3","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Dy(H2O)4(C6NO2H4)2]n.nCl","[Dy(H2O)4(C6NO2H4)2]n.nCl","","- C12 H16 Cl Dy N2 O8 -","- C12 H12 Cl Dy N2 O8 -","- C48 H48 Cl4 Dy4 N8 O32 -","4","0.5","","Wentong Chen; Shunichi Fukuzumi","Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes","Inorganic Chemistry","2009","48","","3800","3807","10.1021/ic9000279","","","0.71073","MoKα","","0.0383","0.0347","","","0.0843","0.0873","","","","","","0.991","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302478","7.1619","0.0002","17.1562","0.0004","8.6887","0.0004","90","","90","","90","","1067.59","0.06","","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- In1.843 Sb4 Zn5 -","- In1.843 Sb4 Zn5 -","- In7.372 Sb16 Zn20 -","4","0.5","","Yang Wu; Sven Lidin; Thomas L. Groy; Nathan Newman; Ulrich Häussermann","Zn5Sb4In2-δ- a Ternary Derivative of Thermoelectric Zinc Antimonides","Inorganic Chemistry","2009","48","","5996","6003","10.1021/ic900302a","","","0.71069","MoKα","","0.0529","0.0391","","","0.1267","0.1379","","","","1.47","1.47","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302706","17.951","0.006","8.001","0.003","20.889","0.007","90","","90","","90","","3000.2","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H32 Mn N10 O8 -","- C24 H32 Mn N10 O8 -","- C96 H128 Mn4 N40 O32 -","4","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Wei-Xiong Zhang; Wei Xue; Dong-Xu Xue; Xiao-Ming Chen","Porous Manganese(II) 3-(2-Pyridyl)-5-(4-Pyridyl)-1,2,4-Triazolate Frameworks: Rational Self-Assembly, Supramolecular Isomerism, Solid-State Transformation, and Sorption Properties","Inorganic Chemistry","2009","48","","6652","6660","10.1021/ic900621c","","","0.71073","MoKα","","0.0489","0.0389","","","0.1034","0.1125","","","","","","1.002","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302854","18.4944","0.0005","17.8905","0.0005","17.8059","0.0004","90","","90","","90","","5891.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H88 Al4 O8 -","- C60 H88 Al4 O8 -","- C240 H352 Al16 O32 -","4","0.5","","Wanda Ziemkowska; Michał Cyrański; Antoni Kunicki","Alkylaluminum Derivatives of Diphenic Acid: Novel Aluminum Carboxylates","Inorganic Chemistry","2009","48","","7006","7008","10.1021/ic900799m","","","0.71073","MoKα","","0.0713","0.0394","","","0.0989","0.1072","","","","","","0.947","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4302873","9.4683","0.0018","18.311","0.004","24.477","0.005","90","","90","","90","","4243.7","1.5","130","2","130","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C37 H57 Cl6 N O2 S Ti -","- C37 H57 Cl6 N O2 S Ti -","- C148 H228 Cl24 N4 O8 S4 Ti4 -","4","0.5","","Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda","Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands","Inorganic Chemistry","2009","48","","7378","7388","10.1021/ic900903b","","","0.71073","MoKα","","0.1029","0.0882","","","0.2215","0.2349","","","","","","1.157","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4303192","13.9745","0.0006","26.897","0.0012","17.034","0.0008","90","","90","","90","","6402.6","0.5","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C70 H48 Cu2 N6 O16 -","- C70 H48 Cu2 N6 O16 -","- C280 H192 Cu8 N24 O64 -","4","0.5","","Daniel L. Reger; Agota Debreczeni; Bryn Reinecke; Vitaly Rassolov; Mark D. Smith; Radu F. Semeniuc","Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π-π Stacking, 1,8-Naphthalimide Synthon","Inorganic Chemistry","2009","48","","8911","8924","10.1021/ic901138h","","","0.71073","MoKα","","0.0943","0.0468","","","0.0884","0.1021","","","","","","0.873","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303236","12.576","0.003","38.573","0.008","12.578","0.003","90","","90","","90","","6102","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H82 Mo6 N4 O19 -","- C44 H82 Mo6 N4 O19 -","- C176 H328 Mo24 N16 O76 -","4","0.5","","Longsheng Wang; Li Zhu; Panchao Yin; Weiwei Fu; Jiake Chen; Jian Hao; Fengping Xiao; Chunlin Lv; Jin Zhang; Lu Shi; Qiang Li; Yongge Wei","From 0D dimer to 2D Network-Supramolecular Assembly of Organic Derivatized Polyoxometalates with Remote Hydroxyl via Hydrogen Bonding","Inorganic Chemistry","2009","48","","9222","9235","10.1021/ic900985w","","","0.71073","MoKα","","0.1359","0.0513","","","0.0945","0.1109","","","","","","1.004","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303375","15.0527","0.0009","14.9361","0.0009","16.0794","0.0009","90","","90","","90","","3615.1","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H40 Fe N6 P4 S2 -","- C36 H40 Fe N6 P4 S2 -","- C144 H160 Fe4 N24 P16 S8 -","4","0.5","","Andrew D. Burrows; Ross W. Harrington; Andrew S. Kirk; Mary F. Mahon; Frank Marken; John E. Warren; Michael K. Whittlesey","Synthesis, Characterization, and Electrochemistry of a Series of Iron(II) Complexes Containing Self-Assembled 1,5-Diaza-3,7-diphosphabicyclo[3.3.1]nonane Ligands","Inorganic Chemistry","2009","48","","9924","9935","10.1021/ic900874f","","","0.6907","Synchrotron","","0.0525","0.0343","","","0.0792","0.0868","","","","","","1.014","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303621","7.374","0.003","23.314","0.005","12.458","0.003","90","","90","","90","","2141.7","1.1","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","phenacyl alcohol, calcium complex","2'-hydroxyacetophenone, calcium complex","","- C16 H24 Ca Cl2 O8 -","- C16 H24 Ca Cl2 O8 -","- C64 H96 Ca4 Cl8 O32 -","4","0.5","","Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope","Calcium Complexation by Corticosteroids","Inorganic Chemistry","2009","48","","10780","10788","10.1021/ic901670r","","","0.71069","MoKα","","0.0717","0.0419","","0.1424","","0.0741","","","0.64","","","0.64","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303907","22.423","0.004","12.328","0.005","15.003","0.008","90","","90","","90","","4147","3","100","0.2","100","0.2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C34 H58 Ca Cl2 N6 O14 -","- C34 H58 Ca Cl2 N6 O14 -","- C136 H232 Ca4 Cl8 N24 O56 -","4","0.5","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)","Inorganic Chemistry","2009","48","","11821","11831","10.1021/ic901883h","","x-ray","0.71073","MoKα","","0.1091","0.0521","","","0.1139","0.1431","","","","","","1.009","","","","has coordinates,has disorder","179077","2020-10-21","18:00:00",""
"4303909","22.601","0.0004","12.199","0.0002","14.957","0.0003","90","","90","","90","","4123.79","0.13","100","2","100","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C34 H58 Cd Cl2 N6 O14 -","- C34 H58 Cd Cl2 N6 O14.006 -","- C136 H232 Cd4 Cl8 N24 O56.024 -","4","0.5","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)","Inorganic Chemistry","2009","48","","11821","11831","10.1021/ic901883h","","x-ray","0.71073","MoKα","","0.094","0.0633","","","0.1661","0.1921","","","","","","1.04","","","","has coordinates,has disorder","179077","2020-10-21","18:00:00",""
"4304001","17.682","0.002","17.923","0.002","16.4037","0.0019","90","","90","","90","","5198.6","1","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H90 Li2 N4 O4 Zr -","- C48 H90 Li2 N4 O4 Zr -","- C192 H360 Li8 N16 O16 Zr4 -","4","0.5","","Karen J. Blackmore; Joseph W. Ziller; Alan F. Heyduk","Lithium-Alkyl, -Aryl, and -Amido Ligand-Exchange Dynamics of Dianionic Zirconium(IV) Complexes with Chelating Amidophenolate Ligands","Inorganic Chemistry","2008","47","","265","273","10.1021/ic701112x","","","0.71073","MoKα","","0.0622","0.0486","","","0.1191","0.1298","","","","","","1.063","","","","has coordinates,has disorder","179078","2020-10-21","18:00:00",""
"4304061","6.827","0.0001","14.9985","0.0003","21.8388","0.0006","90","","90","","90","","2236.18","0.08","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H12 Cu3 N9 -","- C22 H12 Cu3 N8 -","- C88 H48 Cu12 N32 -","4","0.5","","Ming-Xing Li; Zhi-Xin Miao; Min Shao; Sheng-Wen Liang; Shou-Rong Zhu","Metal-Organic Frameworks Constructed from 2,4,6-Tris(4-pyridyl)-1,3,5-triazine","Inorganic Chemistry","2008","47","","4481","4489","10.1021/ic701346x","","","0.71073","MoKα","","0.0624","0.0373","","","0.0849","0.0944","","","","","","1","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304191","20.938","0.003","25.133","0.003","30.776","0.004","90","","90","","90","","16195","4","206","2","206","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C81.13 H117.63 Fe N6 Na O2 -","- C74 H101 Fe N6 Na O2 -","- C592 H808 Fe8 N48 Na8 O16 -","8","1","","Jennifer Scott; Indu Vidyaratne; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Multiple Pathways for Dinitrogen Activation during the Reduction of an Fe Bis(iminepyridine) Complex","Inorganic Chemistry","2008","47","","896","911","10.1021/ic701643d","","","0.71073","MoKα","","0.1308","0.0759","","","0.1677","0.1938","","","","","","1.061","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304198","14.6973","0.0002","17.7243","0.0005","12.4624","0.0003","90","","90","","90","","3246.45","0.13","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H47 Cu2 N2 Na O20 -","- C21 H47 Cu2 N2 Na O20 -","- C84 H188 Cu8 N8 Na4 O80 -","4","0.5","","Alexander M. Kirillov; Yauhen Y. Karabach; Matti Haukka; M. Fátima C. Guedes da Silva; Joaquin Sanchiz; Maximilian N. Kopylovich; Armando J. L. Pombeiro","Self-Assembled Copper(II) Coordination Polymers Derived from Aminopolyalcohols and Benzenepolycarboxylates: Structural and Magnetic Properties","Inorganic Chemistry","2008","47","","162","175","10.1021/ic701669x","","","0.71073","MoKα","","0.051","0.0325","","","0.0724","0.0803","","","","","","1.063","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304348","22.2504","0.0006","30.5529","0.0007","41.1767","0.001","90","","90","","90","","27992.5","1.2","203","2","203","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C256 H316 N12 O40 Pb4 S4 -","- C256 H316 N12 O40 Pb4 S4 -","- C1024 H1264 N48 O160 Pb16 S16 -","4","0.5","","Nicole M. Buie; Vladimir S. Talanov; Raymond J. Butcher; Galina G. Talanova","New Fluorogenic Dansyl-Containing Calix[4]arene in the Partial Cone Conformation for Highly Sensitive and Selective Recognition of Lead(II)","Inorganic Chemistry","2008","47","","3549","3558","10.1021/ic7018346","","","0.71073","MoKα","","0.2038","0.0849","","","0.1599","0.2191","","","","","","1.065","","","","has coordinates","179081","2020-10-21","18:00:00",""
"4304391","20.383","0.0005","18.1958","0.0004","20.0821","0.0005","90","","90","","90","","7448.1","0.3","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H59 Al Cl N3 Si2 -","- C35 H59 Al Cl N3 Si2 -","- C280 H472 Al8 Cl8 N24 Si16 -","8","1","","Ying Yang; Thomas Schulz; Michael John; Arne Ringe; Herbert W. Roesky; Dietmar Stalke; Jörg Magull; Hongqi Ye","Synthesis, Characterization, and Reaction of Aluminum Halide Amides Supported by a Bulky β-Diketiminato Ligand","Inorganic Chemistry","2008","47","","2585","2592","10.1021/ic701896r","","","0.71073","MoKα","","0.0341","0.0294","","","0.0823","0.0845","","","","","","1.065","","","","has coordinates","179081","2020-10-21","18:00:00",""
"4304738","17.627","0.002","16.3216","0.0015","21.7804","0.0016","90","","90","","90","","6266.2","1","293.1","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C23 H39 F6 N O P2 Rh S2 W -","- C23 H39 F6 N O P2 Rh S2 W -","- C184 H312 F48 N8 O8 P16 Rh8 S16 W8 -","8","1","","Kazuya Arashiba; Hidetaka Iizuka; Shoji Matsukawa; Shigeki Kuwata; Yoshiaki Tanabe; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Properties of Group 9- and Group 10-Group 6 Heterodinuclear Nitrosyl Complexes","Inorganic Chemistry","2008","47","","4264","4274","10.1021/ic702309h","","","0.71069","MoKα","","","0.036","","","","0.038","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304949","24.185","0.005","7.722","0.005","17.391","0.005","90","","90","","90","","3248","2","100","3","100","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H23 F O Se -","- C18 H23 F O Se -","- C144 H184 F8 O8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr","Studies on the Properties of Organoselenium(IV) Fluorides and Azides","Inorganic Chemistry","2008","47","","4712","4722","10.1021/ic800051s","","","0.71073","MoKα","","0.1011","0.0444","","","0.0985","0.1134","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305149","16.365","0.003","14.434","0.002","16.89","0.003","90","","90","","90","","3989.6","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H48 Cu2 N8 O22 -","- C30 H48 Cu2 N8 O22 -","- C120 H192 Cu8 N32 O88 -","4","0.5","","Kazi Sabnam Banu; Tanmay Chattopadhyay; Arpita Banerjee; Santanu Bhattacharya; Eringathodi Suresh; Munirathinam Nethaji; Ennio Zangrando; Debasis Das","Catechol Oxidase Activity of a Series of New Dinuclear Copper(II) Complexes with 3,5-DTBC and TCC as Substrates: Syntheses, X-ray Crystal Structures, Spectroscopic Characterization of the Adducts and Kinetic Studies","Inorganic Chemistry","2008","47","","7083","7093","10.1021/ic701332w","","","0.71073","MoKα","","0.1037","0.0781","","","0.1649","0.1773","","","","","","1.098","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305275","14.54","0.003","14.011","0.003","14.152","0.003","90","","90","","90","","2883","1.1","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H41 N3 Sm -","- C35 H41 N3 Sm -","- C140 H164 N12 Sm4 -","4","0.5","","Jacqueline M. Veauthier; Eric J. Schelter; Christin N. Carlson; Brian L. Scott; Ryan E. Da Re; J. D. Thompson; Jaqueline L. Kiplinger; David E. Morris; Kevin D. John","Direct Comparison of the Magnetic and Electronic Properties of Samarocene and Ytterbocene Terpyridine Complexes","Inorganic Chemistry","2008","47","","5841","5849","10.1021/ic8001465","","","0.71073","MoKα","","0.0475","0.0259","","","0.0606","0.0667","","","","","","1.209","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305279","8.1953","0.0001","7.5577","0.0002","13.4593","0.0002","90","","90","","90","","833.64","0.03","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H8 Cu4 N6 O2 -","- C8 H8 Cu4 N6 O2 -","- C16 H16 Cu8 N12 O4 -","2","0.25","","Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten","Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide","Inorganic Chemistry","2008","47","","5866","5872","10.1021/ic800164b","","","0.71073","MoKα","","0.0372","0.0304","","","0.0843","0.089","","","","","","1.134","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305365","12.6747","0.0002","22.5346","0.0003","24.0876","0.0004","90","","90","","90","","6879.88","0.18","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","[Rh(BTSE)2][PF6]","[Rh(BTSE)2][PF6] 3","","- C23 H50 F6 O5 P Rh S4 -","- C23 H50 F6 O5 P Rh S4 -","- C184 H400 F48 O40 P8 Rh8 S32 -","8","1","","Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein","Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine","Inorganic Chemistry","2008","47","","6502","6512","10.1021/ic800354q","","","0.71073","MoKα","","0.0818","0.0702","","","0.179","0.1841","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305556","23.8629","0.0013","9.8304","0.0005","6.9604","0.0004","90","","90","","90","","1632.78","0.15","243","2","243","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H8 Hg S -","- C7 H8 Hg S -","- C56 H64 Hg8 S8 -","8","1","","Jonathan G. Melnick; Kevin Yurkerwich; Daniela Buccella; Wesley Sattler; Gerard Parkin","Molecular Structures of Thimerosal (Merthiolate) and Other Arylthiolate Mercury Alkyl Compounds","Inorganic Chemistry","2008","47","","6421","6426","10.1021/ic8005426","","","0.71073","MoKα","","0.0502","0.0263","","","0.0523","0.0585","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305911","30.1031","0.0015","14.4075","0.0007","13.653","0.0007","90","","90","","90","","5921.4","0.5","113.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H44 Mo N2 O S6 -","- C22 H34 Mo N2 O S6 -","- C176 H272 Mo8 N16 O8 S48 -","8","1","","Hideki Sugimoto; Koichiro Suyama; Kunihisa Sugimoto; Hiroyuki Miyake; Isao Takahashi; Shun Hirota; Shinobu Itoh","A New Class of Sulfido/Oxo(dithiolene)-Molybdenum(IV) Complexes Derived from Sulfido/Oxo-Bis(tetrasulfido)molybdenum(IV) Anions","Inorganic Chemistry","2008","47","","10150","10157","10.1021/ic800832a","","","0.7107","MoKα","","","0.0627","","","","0.1103","","","","","","1.319","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305983","12.6162","0.0013","22.066","0.002","11.8472","0.0012","90","","90","","90","","3298.1","0.6","141","2","141","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H37 I5 N O4 Pu -","- C21 H37 I5 N O4 Pu -","- C84 H148 I20 N4 O16 Pu4 -","4","0.5","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Trevor W. Hayton; James M. Boncella; Brian L. Scott; Mary P. Neu","Low-Valent Molecular Plutonium Halide Complexes","Inorganic Chemistry","2008","47","","8412","8419","10.1021/ic8009139","","","0.71073","MoKα","","0.0589","0.0355","","","0.0911","0.0948","","","","","","1.606","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306196","15.291","0.004","9.806","0.003","18.028","0.005","90","","90","","90","","2703.2","1.3","93","2","93","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Cu F7 N5 O2 V2 -","- C22 H28 Cu F7 N5 O2 V2 -","- C88 H112 Cu4 F28 N20 O8 V8 -","4","0.5","","Thushitha Mahenthirarajah; Yang Li; Philip Lightfoot","Hydrothermal Synthesis of Vanadium Oxyfluoride Chains Incorporating Covalently Bound Copper Coordination Complexes","Inorganic Chemistry","2008","47","","9097","9102","10.1021/ic801106h","","","0.71073","MoKα","","0.0959","0.0734","","","0.1461","0.1609","","","","","","1.1","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306281","23.3861","0.0006","18.747","0.0004","18.1395","0.0004","90","","90","","90","","7952.7","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H122 Na2 O8 V -","- C86 H122 Na2 O8 V -","- C344 H488 Na8 O32 V4 -","4","0.5","","Geoffrey H. Spikes; Stephen Sproules; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","One- and Two-Electron Reduced 1,2-Diketone Ligands in [CrIII(L.)3] (S= 0) and Na2(Et2O)2[VIV(LRed)3] (S=1/2)","Inorganic Chemistry","2008","47","","10935","10944","10.1021/ic801122m","","","0.71073","MoKα","","0.059","0.0444","","","0.1063","0.1167","","","","","","1.061","","","","has coordinates,has disorder","179100","2020-10-21","18:00:00",""
"4306352","16.585","0.004","16.254","0.004","14.786","0.003","90","","90","","90","","3985.9","1.6","153","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H20 B10 Fe S2 -","- C14 H20 B10 Fe S2 -","- C112 H160 B80 Fe8 S16 -","8","1","","Bao-Hua Xu; Xu-Qing Peng; Zhi-Wei Xu; Yi-Zhi Li; Hong Yan","Cobalt(III)-Mediated Disulfuration and Hydrosulfuration of Alkynes","Inorganic Chemistry","2008","47","","7928","7933","10.1021/ic801199e","","","0.71073","MoKα","","0.0923","0.0499","","","0.097","0.1072","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306445","15.0997","0.0015","13.9691","0.0014","28.789","0.003","90","","90","","90","","6072.4","1.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu N7 O3 S -","- C30 H24 Cu N7 O3 S -","- C240 H192 Cu8 N56 O24 S8 -","8","1","","Riccardo Wanke; Piotr Smoleński; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Armando J. L. Pombeiro","Cu(I) Complexes Bearing the New Sterically Demanding and Coordination Flexible Tris(3-phenyl-1-pyrazolyl)methanesulfonate Ligand and the Water-Soluble Phosphine 1,3,5-Triaza-7-phosphaadamantane or Related Ligands","Inorganic Chemistry","2008","47","","10158","10168","10.1021/ic801254b","","","0.71073","MoKα","","0.0904","0.0474","","","0.096","0.1079","","","","","","0.94","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306516","14.103","0.003","21.061","0.004","21.701","0.004","90","","90","","90","","6446","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H55 B Li2 N3 -","- C33 H55 B Li2 N3 -","- C264 H440 B8 Li16 N24 -","8","1","","Andrea M. Corrente; Tristram Chivers","Boraguanidinates: Synthesis, X-ray Structures, and Reactions of {Li2[iPr2NB(NDipp)2]}2 with p-Block and Group 12 Element Halides","Inorganic Chemistry","2008","47","","10073","10080","10.1021/ic801336t","","","0.71073","MoKα","","0.1062","0.0627","","","0.1497","0.1749","","","","","","1.03","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306596","27","0.0015","17.1351","0.001","21.948","0.0013","90","","90","","90","","10154.2","1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C96 H76 Cu N20 P4 Pt2 -","- C96 H76 Cu N20 P4 Pt2 -","- C384 H304 Cu4 N80 P16 Pt8 -","4","0.5","","Suman Mukhopadhyay; Bhaswati Ghosh Mukhopadhyay; M. Fátima C. Guedes da Silva; Jamal Lasri; M. Adília Januário Charmier; Armando J. L. Pombeiro","PtII-Promoted [2 + 3] Cycloaddition of Azide to Cyanopyridines: Convenient Tool toward Heterometallic Structures","Inorganic Chemistry","2008","47","","11334","11341","10.1021/ic8014223","","","0.71073","MoKα","","0.0483","0.0315","","","0.0732","0.0777","","","","","","1.016","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306646","18.078","0.004","26.212","0.005","18.023","0.004","90","","90","","90","","8540","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H60 Cl16 Fe8 N25 O4 -","- C52 H60 Cl16 Fe8 N25 O4 -","- C208 H240 Cl64 Fe32 N100 O16 -","4","0.5","","Indranil Chakraborty; Peter Baran; Yiannis Sanakis; Athanassios Simopoulos; Esteban Fachini; Raphael G. Raptis","A Mixed-Valence Octanuclear Iron-Oxo Pyrazolate: Assessment of Electronic Delocalization by Structural and Spectroscopic Analysis","Inorganic Chemistry","2008","47","","11734","11737","10.1021/ic801459s","","","0.71073","MoKα","","0.1306","0.0399","","","0.0883","0.1206","","","","","","0.858","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306659","29.8331","0.0011","8.7588","0.0003","21.1705","0.0008","90","","90","","90","","5531.9","0.3","223","2","223","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C28 H21 Cl F6 N6 O0.5 P Ru -","- C28 H20 Cl F6 N6 O0.25 P Ru -","- C224 H160 Cl8 F48 N48 O2 P8 Ru8 -","8","1","","Huan-Wei Tseng; Ruifa Zong; James T. Muckerman; Randolph Thummel","Mononuclear Ruthenium(II) Complexes That Catalyze Water Oxidation","Inorganic Chemistry","2008","47","","11763","11773","10.1021/ic8014817","","","0.71073","MoKα","","0.0515","0.0296","","","0.0722","0.0823","","","","","","0.973","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306746","28.9299","0.0008","17.8215","0.0005","17.8255","0.0005","90","","90","","90","","9190.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H54 N4 O9 Pd2 Zn -","- C46 H54 N4 O9 Pd2 Zn -","- C368 H432 N32 O72 Pd16 Zn8 -","8","1","","Alen Hadzovic; Datong Song","Syntheses, Structures, and Reactivities of Novel Palladium β-Diiminato-Acetate Complexes","Inorganic Chemistry","2008","47","","12010","12017","10.1021/ic801557c","","","0.71073","MoKα","","0.0911","0.0511","","","0.1152","0.1396","","","","","","1.038","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306748","11.526","0.002","6.5866","0.0013","13.836","0.003","90","","90","","90","","1050.4","0.4","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Strontium germanium nitride","Heptastrontium monogermanium hexanitride","","- Ge N6 Sr7 -","- Ge N6 Sr7 -","- Ge4 N24 Sr28 -","4","0.5","","Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick","Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations","Inorganic Chemistry","2008","47","","12018","12023","10.1021/ic801562c","","","0.71073","MoKα","","0.0492","0.0265","","","0.0505","0.0543","","","","","","0.892","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306749","10.826","0.002","6.194","0.0012","13.121","0.003","90","","90","","90","","879.8","0.3","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Calcium nitridogermanat nitride","Heptastrontium germanium hexanitride","","- Ca7 Ge N6 -","- Ca7 Ge N6 -","- Ca28 Ge4 N24 -","4","0.5","","Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick","Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations","Inorganic Chemistry","2008","47","","12018","12023","10.1021/ic801562c","","","0.71073","MoKα","","0.0162","0.0135","","","0.0293","0.0304","","","","","","1.082","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4307033","30.74","0.01","14.53","0.01","14.246","0.007","89","","89","","90","","6361","6","296.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H48 N4 Ni O2 S4 -","- C26 H48 N4 Ni O2 S4 -","- C208 H384 N32 Ni8 O16 S32 -","8","1","","Sota Shibahara; Hiroshi Kitagawa; Yoshiki Ozawa; Koshiro Toriumi; Takashi Kubo; Kazuhiro Nakasuji","Syntheses and Unusual Segregated-Alternated Hybrid Stacking Structure of Hydrogen-Bonded Charge-Transfer Complexes Composed of Bis[2,3-pyridinedithiolate]metal Complexes","Inorganic Chemistry","2007","46","","1162","1170","10.1021/ic0615269","","","0.7107","MoKα","","","0.0504","","","","0.167","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307256","22.863","0.002","15.076","0.001","14.352","0.001","90","","90","","90","","4946.9","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","μ-(2,2'-Bis(diphenylphosphinophenyl)ether)bis(η^6^-(1- i-propyl-4-methylbenzene)dichlororuthenium(II))","","- C56 H56 Cl4 O P2 Ru2 -","- C56 H56 Cl4 O P2 Ru2 -","- C224 H224 Cl16 O4 P8 Ru8 -","4","0.5","","Ramalingam Venkateswaran; Joel T. Mague; Maravanji S. Balakrishna","Ruthenium(II) Complexes Containing Bis(2-(diphenylphosphino)phenyl) Ether and Their Catalytic Activity in Hydrogenation Reactions","Inorganic Chemistry","2007","46","","809","817","10.1021/ic061782l","","","0.71073","MoKα","","0.0615","0.0471","","","0.1046","0.1103","","","","","","1.111","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307338","17.0132","0.0005","21.5449","0.0006","16.204","0.0005","90","","90","","90","","5939.5","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H28 Fe N O S4 -","- C32 H28 Fe N O S4 -","- C256 H224 Fe8 N8 O8 S32 -","8","1","","Prasanta Ghosh; Keira Stobie; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Michael D. Ward; Jon A. McCleverty; Karl Wieghardt","Electronic Structure of Nitric Oxide Adducts of Bis(diaryl-1,2-dithiolene)iron Compounds: Four-Membered Electron-Transfer Series [Fe(NO)(L)2]z (z= 1+, 0, 1-, 2-)","Inorganic Chemistry","2007","46","","522","532","10.1021/ic061874a","","","0.71073","MoKα","","0.0858","0.0666","","","0.1236","0.1303","","","","","","1.202","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307524","21.866","0.003","7.6101","0.001","19.646","0.003","90","","90","","90","","3269.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Tb GWMOF-6","","","- C14 H18 N O7 Tb -","- C14 H14 N O7 Tb -","- C112 H112 N8 O56 Tb8 -","8","1","","Daniel T. de Lill; Ana de Bettencourt-Dias; Christopher L. Cahill","Exploring Lanthanide Luminescence in Metal-Organic Frameworks: Synthesis, Structure, and Guest-Sensitized Luminescence of a Mixed Europium/Terbium-Adipate Framework and a Terbium-Adipate Framework","Inorganic Chemistry","2007","46","","3960","3965","10.1021/ic062019u","","","0.71073","MoKα","","0.0781","0.0365","","","0.0619","0.0722","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4307525","21.925","0.002","7.6493","0.0007","19.6691","0.0015","90","","90","","90","","3298.7","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 Eu N2 O14 Tb -","- C28 H36 Eu N2 O14 Tb -","- C112 H144 Eu4 N8 O56 Tb4 -","4","0.5","","Daniel T. de Lill; Ana de Bettencourt-Dias; Christopher L. Cahill","Exploring Lanthanide Luminescence in Metal-Organic Frameworks: Synthesis, Structure, and Guest-Sensitized Luminescence of a Mixed Europium/Terbium-Adipate Framework and a Terbium-Adipate Framework","Inorganic Chemistry","2007","46","","3960","3965","10.1021/ic062019u","","","0.71073","MoKα","","0.1364","0.0474","","","0.0554","0.0715","","","","","","0.765","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4307566","14.0448","0.0004","9.2259","0.0003","17.0103","0.0007","90","","90","","90","","2204.13","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H14 Fe N12 -","- C26 H14 Fe N12 -","- C104 H56 Fe4 N48 -","4","0.5","","Wen Zhang; Fei Zhao; Tao Liu; Mei Yuan; Zhe-Ming Wang; Song Gao","Spin Crossover in a Series of Iron(II) Complexes of 2-(2-Alkyl-2H-tetrazol-5-yl)-1,10-phenanthroline: Effects of Alkyl Side Chain, Solvent, and Anion","Inorganic Chemistry","2007","46","","2541","2555","10.1021/ic062062h","","","0.71073","MoKα","","0.1039","0.0373","","","0.0768","0.0905","","","","","","0.919","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307567","13.8675","0.0003","9.3721","0.0002","16.4788","0.0005","90","","90","","90","","2141.71","0.09","180","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H14 Fe N12 -","- C26 H14 Fe N12 -","- C104 H56 Fe4 N48 -","4","0.5","","Wen Zhang; Fei Zhao; Tao Liu; Mei Yuan; Zhe-Ming Wang; Song Gao","Spin Crossover in a Series of Iron(II) Complexes of 2-(2-Alkyl-2H-tetrazol-5-yl)-1,10-phenanthroline: Effects of Alkyl Side Chain, Solvent, and Anion","Inorganic Chemistry","2007","46","","2541","2555","10.1021/ic062062h","","","0.71073","MoKα","","0.0512","0.0315","","","0.0858","0.0914","","","","","","1.063","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307592","8.3347","0.0007","7.6594","0.0006","20.8988","0.0017","90","","90","","90","","1334.15","0.19","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","uranyl iodate hydrate Iodic acid","","","- I4 O15 U -","- I4 O15 U -","- I16 O60 U4 -","4","0.5","","Jie Ling; Thomas E. Albrecht-Schmitt","Intercalation of Iodic Acid into the Layered Uranyl Iodate, UO2(IO3)2(H2O)","Inorganic Chemistry","2007","46","","346","347","10.1021/ic062072i","","","0.71073","MoKα","","0.0265","0.0245","","","0.062","0.0627","","","","","","1.216","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307595","13.9229","0.0015","8.5263","0.0012","32.19","0.005","90","","90","","90","","3821.3","0.9","150","","150","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C24 H18 O7 -","- C24 H18 O7 -","- C192 H144 O56 -","8","1","","Guillem Aromí; Patrick Gamez; J. Krzystek; Huub Kooijman; Anthony L. Spek; Elizabeth J. MacLean; Simon J. Teat; Harriott Nowell","Novel Linear Transition Metal Clusters of a Heptadentate Bis-β-diketone Ligand","Inorganic Chemistry","2007","46","","2519","2529","10.1021/ic062075v","","x-ray","0.71073","MoKα","","0.0826","0.0468","","","0.1087","0.1254","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308113","32.547","0.002","18.155","0.0008","16.7632","0.001","90","","90","","90","","9905.2","1","193","2","193","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H82 Cl N6 O4 P2 Yb -","- C42 H82 Cl N6 O4 P2 Yb -","- C336 H656 Cl8 N48 O32 P16 Yb8 -","8","1","","Xiaoping Xu; Yingming Yao; Yong Zhang; Qi Shen","Synthesis, Reactivity, and Structural Characterization of Sodium and Ytterbium Complexes Containing New Imidazolidine-Bridged Bis(phenolato) Ligands","Inorganic Chemistry","2007","46","","3743","3751","10.1021/ic0701054","","","0.7107","MoKα","","0.0506","0.0424","","","0.0792","0.0822","","","","","","1.225","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308126","9.576","0.003","12.172","0.003","12.314","0.002","90","","90","","90","","1435.3","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ca2 H18 O17 U -","- Ca2 O17 U -","- Ca8 O68 U4 -","4","0.5","","Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns","Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes","Inorganic Chemistry","2007","46","","3657","3662","10.1021/ic070118h","","","0.71073","MoKα","","0.167","0.0397","","","0.0671","0.0959","","","","","","0.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308191","39.077","0.01","9.963","0.003","27.155","0.007","90","","90","","90","","10572","5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C55 H77 N7 O Yb2 -","- C55 H74 N7 O Yb2 -","- C440 H592 N56 O8 Yb16 -","8","1","","Chengfu Pi; Ruiting Liu; Pengzhi Zheng; Zhenxia Chen; Xigeng Zhou","Selective Reaction Based on the Linked Diamido Ligands of Dinuclear Lanthanide Complexes","Inorganic Chemistry","2007","46","","5252","5259","10.1021/ic070203p","","","0.71073","MoKα","","0.1377","0.062","","","0.1086","0.1248","","","","","","1.034","","","","has coordinates,has disorder","179119","2020-10-21","18:00:00",""
"4308247","15.153","0.009","25.681","0.014","24.53","0.014","90","","90","","90","","9546","9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C110 H66 Ag9 N27 -","- C110 H66 Ag9 N27 -","- C440 H264 Ag36 N108 -","4","0.5","","Xiang-Ping Li; Jian-Yong Zhang; Mei Pan; Sheng-Run Zheng; Yu Liu; Cheng-Yong Su","Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and Aggregation of Multinuclear Building Units","Inorganic Chemistry","2007","46","","4617","4625","10.1021/ic070309k","","","0.71073","MoKα","","0.1758","0.0864","","","0.1355","0.1614","","","","","","1.005","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308332","17.316","0.003","10.919","0.002","10.0939","0.0019","90","","90","","90","","1908.5","0.6","298","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H16 N4 Pt -","- C24 H16 N4 Pt -","- C96 H64 N16 Pt4 -","4","0.5","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.0394","0.0184","","","0.0387","0.0445","","","","","","1.046","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308337","30.6","0.01","13.764","0.003","16.305","0.003","90","","90","","90","","6867","3","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H39.5 B Mo N7 O4.75 S3 -","- C26 H38 B Mo N7 O4.75 S3 -","- C208 H304 B8 Mo8 N56 O38 S24 -","8","1","","Patrick J. Lim; Damian A. Slizys; Edward R. T. Tiekink; Charles G. Young","Formation of Mono(dithiolene)-Thiocarboxamido Complexes in Reactions of Thio(dithiocarbamato)-Mo/W Complexes and Dimethyl Acetylenedicarboxylate","Inorganic Chemistry","2005","44","","114","121","10.1021/ic048882g","","","0.7107","MoKα","","0.214","0.072","","","0.179","0.229","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308377","21.9415","0.001","7.7878","0.0003","19.6649","0.0009","90","","90","","90","","3360.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N O7 Pr -","- C14 H12 N O7 Pr -","- C112 H96 N8 O56 Pr8 -","8","1","","Daniel T. de Lill; Noel S. Gunning; Christopher L. Cahill","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","44","","258","266","10.1021/ic048755k","","","0.71073","MoKα","","0.0573","0.0434","","","0.0907","0.0962","","","","","","1.091","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308443","26.959","0.003","12.3089","0.0014","33.493","0.004","90","","90","","90","","11114","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H49 Ag B F4 Fe N14 -","- C44 H30 Ag B F4 Fe N10 -","- C352 H240 Ag8 B8 F32 Fe8 N80 -","8","1","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.1461","0.0984","","","0.2691","0.291","","","","","","1.039","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308446","26.713","0.003","12.58","0.0013","33.455","0.003","90","","90","","90","","11243","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C55 H48 Ag Co F3 N15 O3 S -","- C47 H30 Ag Co F3 N11 O3 S -","- C376 H240 Ag8 Co8 F24 N88 O24 S8 -","8","1","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.0921","0.0704","","","0.1842","0.1946","","","","","","1.041","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308691","16.8708","0.0017","19.803","0.0019","17.6311","0.0018","90","","90","","90","","5890.4","1","203","2","203","2","","","","","","","","4","P b c n","-P 2n 2ab","60","(5) Dy3(OBut)9(THF)2","","","- C44 H97 Dy3 O11 -","- C44 H88 Dy3 O11 -","- C176 H352 Dy12 O44 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0818","0.0584","","","0.1219","0.1319","","","","","","1.135","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308701","20.474","0.002","13.702","0.0014","17.5143","0.0018","90","","90","","90","","4913.4","0.9","178","2","178","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(18) Dy(DBP)3(py)2","","","- C52 H73 Dy N2 O3 -","- C52 H73 Dy N2 O3 -","- C208 H292 Dy4 N8 O12 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0564","0.0427","","","0.0811","0.086","","","","","","1.142","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308836","19.754","0.004","12.848","0.002","18.185","0.004","90","","90","","90","","4615.3","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H45 Fe3 N15 O13 -","- C39 H45 Fe3 N15 O13 -","- C156 H180 Fe12 N60 O52 -","4","0.5","","Hayley A. Burkill; Neil Robertson; Ramón Vilar; Andrew J. P. White; David J. Williams","Synthesis, Structural Characterization, and Magnetic Studies of Polynuclear Iron Complexes with a New Disubstituted Pyridine Ligand","Inorganic Chemistry","2005","44","","3337","3346","10.1021/ic048620e","","","0.71073","MoKα","","0.0925","0.0493","","","0.0979","0.11","","","","","","0.987","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308921","23.341","0.011","20.409","0.009","19.177","0.009","90","","90","","90","","9135","7","299","2","299","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","tetrakis((4-tertbutyl-pyridine)-iodide-copper(i))","","- C36 H52 Cu4 I4 N4 -","- C36 H34 Cu4 I4 N4 -","- C288 H272 Cu32 I32 N32 -","8","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.0447","0.0413","","","0.1024","0.1051","","","","","","1.116","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309078","44.685","0.003","9.5365","0.0007","15.4123","0.0011","90","","90","","90","","6567.8","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","cis-{hydrotris(3-isopropyl-pyrazol-1- yl)borato}dioxo(4-phenylphenolato)molybdenum(VI) dichloromethane hemisolvate","","- C30.5 H37 B Cl Mo N6 O3 -","- C30.5 H37 B Cl Mo N6 O3 -","- C244 H296 B8 Cl8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0611","0.0571","","","0.1463","0.148","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309210","23.066","0.012","24.294","0.013","9.663","0.005","90","","90","","90","","5415","5","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Au3[CH3(CH2)4N=COCH3]3","","","- C21 H42 Au3 N3 O3 -","- C21 H42 Au3 N3 O3 -","- C168 H336 Au24 N24 O24 -","8","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.1292","0.0962","","","0.2498","0.2777","","","","","","1.186","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309214","11.215","0.002","12.033","0.002","12.634","0.003","90","","90","","90","","1705","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H28 Br In N2 -","- C14 H28 Br In N2 -","- C56 H112 Br4 In4 N8 -","4","0.5","","Marcus L. Cole; Cameron Jones; Marc Kloth","Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-","Inorganic Chemistry","2005","44","","4909","4911","10.1021/ic050415r","","","0.71073","MoKα","","0.0562","0.0321","","","0.0623","0.0705","","","","","","1.028","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309276","10.158","0.0011","13.9511","0.0015","25.643","0.003","90","","90","","90","","3634","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H14 N8 Zn -","- C16 H14 N8 Zn -","- C128 H112 N64 Zn8 -","8","1","","Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong","Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands","Inorganic Chemistry","2005","44","","5278","5285","10.1021/ic050354x","","","0.71073","MoKα","","0.2637","0.0534","","","0.0689","0.1072","","","","","","0.692","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309402","25.311","0.002","18.5001","0.0013","20.4973","0.0017","90","","90","","90","","9598","1.3","295","2","295","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H62 Cl3 I N8 Ni2 O12 -","- C32 H62 I N8 Ni2 -","- C256 H496 I8 N64 Ni16 -","8","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0907","0.0346","","","0.0775","0.0849","","","","","","0.719","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309507","16.4017","0.0003","33.846","0.0005","45.234","0.0005","90","","90","","90","","25110.8","0.7","293","2","293","2","","","","","","","","11","P b c n","-P 2n 2ab","60","","","","- C110 H101 Au Cl0.5 Cu8 F3 N0 O4.5 P6 S10 Sb0.5 -","- C110 H91 Au Cl0.5 Cu8 F3 O4.5 P6 S10 Sb0.5 -","- C880 H728 Au8 Cl4 Cu64 F24 O36 P48 S80 Sb4 -","8","1","","Yan-Dan Chen; Li-Yi Zhang; Yong-Hai Qin; Zhong-Ning Chen","Heterovalent AuIII-MI (M = Cu, Ag, Au) Complexes Derived from Incorporation of [Au(tdt)2]- (tdt = Toluene-3,4-dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2005","44","","6456","6462","10.1021/ic050542n","","","0.71073","MoKα","","0.23","0.1219","","","0.2844","0.3796","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309517","4.051","0.002","14.023","0.008","24.633","0.013","90","","90","","90","","1399.3","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","tripotassium tricopper dithorium heptasulfide","","- Cu3 K3 S7 Th2 -","- Cu3 K3 S7 Th2 -","- Cu12 K12 S28 Th8 -","4","0.5","","Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout","Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~","Inorganic Chemistry","2005","44","","6463","6469","10.1021/ic050561x","","","0.71073","MoKα","","0.1451","0.0785","","","0.1937","0.2169","","","","","","0.832","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309692","9.939","0.002","8.6219","0.0017","15.731","0.003","90","","90","","90","","1348","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 N2 O8 Sm -","- C14 H7 N2 O8 Sm -","- C56 H28 N8 O32 Sm4 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0215","0.0172","","","0.0375","0.0391","","","","","","1.08","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309693","9.969","0.002","8.6644","0.0017","15.736","0.003","90","","90","","90","","1359.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 Eu N2 O8 -","- C14 H7 Eu N2 O8 -","- C56 H28 Eu4 N8 O32 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.025","0.0204","","","0.0407","0.0422","","","","","","1.073","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309694","9.932","0.002","8.6161","0.0017","15.717","0.003","90","","90","","90","","1345","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 Gd N2 O8 -","- C14 H7 Gd N2 O8 -","- C56 H28 Gd4 N8 O32 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0198","0.0166","","","0.0338","0.0347","","","","","","1.095","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309721","33.7","0.002","12.1319","0.0011","13.9242","0.0011","90","","90","","90","","5692.8","0.8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H23 Cl F5 N7 O6 Pd -","- C21 H23 Cl F5 N7 O6 Pd -","- C168 H184 Cl8 F40 N56 O48 Pd8 -","8","1","","José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista","New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA","Inorganic Chemistry","2005","44","","7365","7376","10.1021/ic0502372","","","0.71073","MoKα","","0.0724","0.0401","","","0.0922","0.0997","","","","","","0.898","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309937","14.266","0.002","10.6915","0.0015","17.171","0.002","90","","90","","90","","2619","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H24 N4 Ni O6 -","- C28 H20 N4 Ni O6 -","- C112 H80 N16 Ni4 O24 -","4","0.5","","Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System","Inorganic Chemistry","2005","44","","8265","8271","10.1021/ic050644d","","","0.71073","MoKα","","0.0402","0.0306","","","0.0815","0.0883","","","","","","1.039","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310058","17.942","0.0012","15.905","0.0016","19.1558","0.0017","90","","90","","90","","5466.4","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Bu4N)2, Mo2S2O2(dmit)2","bis tetrabutylammonium, (bis(2,3-disulfanyl-4,5-dithiole-2-thione))(dimolybdenumdioxo bis(mu sulfido))","","- C38 H72 Mo2 N2 O2 S12 -","- C38 H72 Mo2 N2 O2 S12 -","- C152 H288 Mo8 N8 O8 S48 -","4","0.5","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1846","0.0495","","","0.0696","0.0945","","","","","","0.768","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310059","18.062","0.0013","15.9787","0.0012","19.2806","0.0014","90","","90","","90","","5564.5","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H72 N2 O2 S12 W2 -","- C38 H72 N2 O2 S12 W2 -","- C152 H288 N8 O8 S48 W8 -","4","0.5","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1794","0.086","","","0.2129","0.2669","","","","","","1.203","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310721","22.2209","0.0004","8.8241","0.0002","24.1119","0.0006","90","","90","","90","","4727.85","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C14 H27 Cl N4 O9 P2 S Sn -","- C14 H27 Cl N4 O9 P2 S Sn -","- C112 H216 Cl8 N32 O72 P16 S8 Sn8 -","8","1","","José S. Casas; Eduardo E. Castellano; María D. Couce; Javier Ellena; Agustín Sánchez; José L. Sánchez; José Sordo; Carmen Taboada","The Reaction of Dimethyltin(IV) Dichloride with Thiamine Diphosphate (H2TDP): Synthesis and Structure of [SnMe2(HTDP)(H2O)]Cl.H2O, and Possibility of a Hitherto Unsuspected Role of the Metal Cofactor in the Mechanism of Vitamin-B1-Dependent Enzymes","Inorganic Chemistry","2004","43","","1957","1963","10.1021/ic0351141","","x-ray","0.71073","MoKα","","0.0652","0.0355","","","0.0812","0.0975","","","","","","1.024","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310829","20.522","0.004","16.114","0.003","16.701","0.003","90","","90","","90","","5522.9","1.8","301","2","301","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H52 Au2 Cl4 O5 P2 -","- C56 H48 Au2 Cl4 O5 P2 -","- C224 H192 Au8 Cl16 O20 P8 -","4","0.5","","Xiao-Xia Lu; Chi-Kwan Li; Eddie Chung-Chin Cheng; Nianyong Zhu; Vivian Wing-Wah Yam","Syntheses, Structural Characterization, and Host-Guest Chemistry of Ethynylcrown Ether Containing Polynuclear Gold(I) Complexes","Inorganic Chemistry","2004","43","","2225","2227","10.1021/ic0499603","","","0.71073","MoKα","","0.0619","0.0382","","","0.1039","0.1182","","","","","","0.961","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310836","23.8283","0.0015","11.1605","0.0007","26.152","0.002","90","","90","","90","","6954.8","0.8","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H40 Mn2 N4 O8 -","- C37 H40 Mn2 N4 O8 -","- C296 H320 Mn16 N32 O64 -","8","1","","Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues","Synthesis, Structures, and Magnetic Properties of Novel Mononuclear, Tetranuclear, and 1D Chain MnIII Complexes Involving Three Related Asymmetrical Trianionic Ligands","Inorganic Chemistry","2004","43","","2736","2744","10.1021/ic0348796","","","0.71073","MoKα","","0.0593","0.0453","","","0.096","0.1014","","","","","","0.829","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310915","7.083","0.003","11.497","0.004","20.83","0.007","90","","90","","90","","1696.3","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[(bmmp-TASN)Zn]","[(bmmp-TASN)Zn]","","- C12 H26 N2 S2 Zn -","- C12 H26 N2 S2 Zn -","- C48 H104 N8 S8 Zn4 -","4","0.5","","Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta","Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison","Inorganic Chemistry","2004","43","","2859","2866","10.1021/ic035205y","","","0.71073","MoKα","","0.143","0.043","","","0.079","0.088","","","","","","1.01","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311076","14.231","0.002","23.048","0.004","27.494","0.005","90","","90","","90","","9018","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H110 Mn6 O27 -","- C68 H118 Mn6 O27 -","- C272 H472 Mn24 O108 -","4","0.5","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.0426","0.0359","","","0.1023","0.1092","","","","","","0.93","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311155","24.0201","0.0016","6.4017","0.0003","13.3056","0.0004","90","","90","","90","","2046","0.18","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ag6 K2 S10 Sn3 -","- Ag6 K2 S10 Sn3 -","- Ag24 K8 S40 Sn12 -","4","0.5","","Menghe Baiyin; Yonglin An; Xin Liu; Min Ji; Cuiying Jia; Guiling Ning","K2Ag6Sn3S10: A Quaternary Sulfide Composed of Silver Sulfide Layers Pillared by Zigzag Chains [SnS3]2-","Inorganic Chemistry","2004","43","","3764","3765","10.1021/ic035474o","","","0.71073","MoKα","","0.0414","0.0294","","","0.0682","0.0949","","","","","","1.146","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311343","32.951","0.002","14.4561","0.001","32.267","0.002","90","","90","","90","","15370.2","1.7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C71 H71 Cl2 Cu2 F12 O0.5 P6 S4 -","- C68 H49 Cu2 F6 P5 S4 -","- C544 H392 Cu16 F48 P40 S32 -","8","1","","Martin S. Masar; Chad A. Mirkin; Charlotte L. Stern; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Copper(I) Macrocycles Synthesized via the Weak-Link Approach","Inorganic Chemistry","2004","43","","4693","4701","10.1021/ic049658u","","","0.71073","MoKα","","0.1045","0.0692","","","0.1765","0.1909","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311502","12.3056","0.0013","21.741","0.002","11.8964","0.0012","90","","90","","90","","3182.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H40 I5 O5 Yb -","- C20 H40 I5 O5 Yb -","- C80 H160 I20 O20 Yb4 -","4","0.5","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0611","0.0368","","","0.0748","0.0811","","","","","","1.003","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311635","17.9189","0.0003","15.5385","0.0003","29.5594","0.0006","90","","90","","90","","8230.3","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 In N5 O10 -","- C28 H32 In N5 O10 -","- C224 H256 In8 N40 O80 -","8","1","","Wen-Yuan Hsieh; Shuang Liu","Synthesis, Characterization, and Structures of Indium In(DTPA-BA2) and Yttrium Y(DTPA-BA2)(CH3OH) Complexes (BA = Benzylamine): Models for 111In- and 90Y-Labeled DTPA-Biomolecule Conjugates","Inorganic Chemistry","2004","43","","6006","6014","10.1021/ic049973g","","","0.71073","MO-Kα","","0.092","0.049","","","0.142","0.15","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311827","8.1012","0.0005","5.31093","0.00031","29.2595","0.0016","90","","90","","90","","1258.89","0.13","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 Cu2 O7 P2 -","- C12 Cu2 O7 P2 -","- C48 Cu8 O28 P8 -","4","0.5","","M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield","Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives","Inorganic Chemistry","2004","43","","5283","5293","10.1021/ic049453l","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0645","","1.76","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311828","7.822","0.003","5.821","0.002","28.982","0.009","90","","90","","90","","1319.6","0.8","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 O7 P2 -","- C12 H12 O7 P2 -","- C48 H48 O28 P8 -","4","0.5","","M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield","Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives","Inorganic Chemistry","2004","43","","5283","5293","10.1021/ic049453l","","","1.54178","CuKα","","0.163","0.0614","","","0.1036","0.1306","","","","","","1.007","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311900","13.771","0.005","13.441","0.003","9.545","0.002","90","","90","","90","","1766.7","0.8","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H10 Cl2 O3.5 V -","- C4 H10 Cl2 O3.5 V -","- C32 H80 Cl16 O28 V8 -","8","1","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.71073","MoKα","","0.0276","0.021","","","0.0491","0.0506","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312053","12.339","0.0009","21.0758","0.0015","15.4168","0.0011","90","","90","","90","","4009.2","0.5","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H44 N10 O6 Re2 -","- C36 H44 N10 O6 Re2 -","- C144 H176 N40 O24 Re8 -","4","0.5","","Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren","Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties","Inorganic Chemistry","2004","43","","7887","7892","10.1021/ic0487981","","","0.71073","MoKα","","0.0588","0.0291","","","0.0604","0.0656","","","","","","1.02","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312212","8.4625","0.0006","8.647","0.001","19.918","0.002","90","","90","","90","","1457.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C4 H16 Br4 N2 O2 Pb -","- C4 H16 Br4 N2 O2 Pb -","- C16 H64 Br16 N8 O8 Pb4 -","4","0.5","","Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail","Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br)","Inorganic Chemistry","2004","43","","8361","8366","10.1021/ic048814u","","x-ray","0.71073","MoKα","","0.0643","0.0364","","","0.058","0.0647","","","","","","1.121","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312375","10.1378","0.0006","20.4656","0.0012","13.1423","0.0008","90","","90","","90","","2726.7","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Catena-(tetrakis(mu2-trifluoroacetato-O,O')-(mu2-diphenyl selenone-O,O')- di-rhodium(II,II))","","- C20 H10 F12 O10 Rh2 Se -","- C20 H10 F12 O10 Rh2 Se -","- C80 H40 F48 O40 Rh8 Se4 -","4","0.5","","Evgeny V. Dikarev; Renee Y. Becker; Eric Block; Zhixing Shan; R. Curtis Haltiwanger; Marina A. Petrukhina","The First Coordination Complexes of Selenones: A Structural Comparison with Complexes of Sulfones","Inorganic Chemistry","2003","42","","7098","7105","10.1021/ic0302130","","","0.71073","MoKα","","0.034","0.03","","","0.078","0.0806","","","","","","1.031","","","","has coordinates,has disorder","179162","2020-10-21","18:00:00",""
"4312393","9.342","0.001","15.558","0.002","28.721","0.005","90","","90","","90","","4174.4","1","123.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H20 Br8 Cu6 O2 S16 -","- C20 H16 Br8 Cu6 O2 S16 -","- C80 H64 Br32 Cu24 O8 S64 -","4","0.5","","Ryo Kanehama; Masamichi Umemiya; Fumiyasu Iwahori; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita; Yasukata Yokochi; Hiroshi Ito; Shin-ichi Kuroda; Hideo Kishida; Hiroshi Okamoto","Novel ET-Coordinated Copper(I) Complexes: Syntheses, Structures, and Physical Properties (ET = BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2003","42","","7173","7181","10.1021/ic0344362","","","0.7107","MoKα","","","0.0961","","","","0.2314","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312484","10.465","0.007","9.071","0.006","19.92","0.012","90","","90","","90","","1891","2","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 Ag2 N4 O6 S2 -","- C14 H16 Ag2 N4 O6 S2 -","- C56 H64 Ag8 N16 O24 S8 -","4","0.5","","Xian-He Bu; Ya-Bo Xie; Jian-Rong Li; Ruo-Hua Zhang","Adjusting the Frameworks of Silver(I) Complexes with New Pyridyl Thioethers by Varying the Chain Lengths of Ligand Spacers, Solvents, and Counteranions","Inorganic Chemistry","2003","42","","7422","7430","10.1021/ic034454j","","","0.71073","MoKα","","0.0413","0.0338","","","0.0833","0.0884","","","","","","1.117","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312501","22.9288","0.0015","6.6926","0.0004","18.8132","0.0013","90","","90","","90","","2886.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H14 Ni O6 S2 -","- C12 H14 Ni O6 S2 -","- C96 H112 Ni8 O48 S16 -","8","1","","Jana A. Lewis; David T. Puerta; Seth M. Cohen","Metal Complexes of the trans-Influencing Ligand Thiomaltol","Inorganic Chemistry","2003","42","","7455","7459","10.1021/ic0347135","","","0.71073","MoKα","","0.0351","0.0288","","","0.0812","0.0835","","","","","","0.998","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312841","12.255","0.002","21.136","0.003","15.549","0.003","90","","90","","90","","4027.5","1.2","293","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H44 N14 Ru2 -","- C36 H44 N14 Ru2 -","- C144 H176 N56 Ru8 -","4","0.5","","Wei-Zhong Chen; Tong Ren","Synthesis and Characterization of Ru2(DMBA)4X2 (X = CN, N3, N(CN)2, I): Controlling Structural, Redox, and Magnetic Properties with Axial Ligands","Inorganic Chemistry","2003","42","","8847","8852","10.1021/ic035106k","","","0.71073","MoKα","","0.0575","0.0384","","","0.0966","0.1017","","","","","","1.001","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312844","17.663","0.003","14.223","0.002","16.925","0.003","90","","90","","90","","4251.9","1.2","154","2","154","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Cu(4'-MeL)(H2O2)2]ClO4; 4'-MeLH = 1,3-bis{2-(4-methylpyridyl)imino}isoindoline","","","- C20 H20 Cl Cu N5 O6 -","- C20 H20 Cl Cu N5 O6 -","- C160 H160 Cl8 Cu8 N40 O48 -","8","1","","Oren P. Anderson; Agnete la Cour; Andrew Dodd; Andrew D. Garrett; Mark Wicholas","Syntheses and Structures of Isoindoline Complexes of Zn(II) and Cu(II): An Unexpected Trinuclear Zn(II) Complex","Inorganic Chemistry","2003","42","","122","127","10.1021/ic011246n","","","0.71073","MoKα","","0.0722","0.041","","","0.0915","0.0992","","","","","","0.949","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312925","6.3152","0.0003","18.1918","0.0008","17.7172","0.0008","90","","90","","90","","2035.44","0.16","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H10 N O8 Se2 V -","- C3 H8 N O8 Se2 V -","- C24 H64 N8 O64 Se16 V8 -","8","1","","Intyaj Pasha; Amitava Choudhury; C. N. R. Rao","Organically Templated Vanadyl Selenites with Layered Structures","Inorganic Chemistry","2003","42","","409","415","10.1021/ic020479r","","","0.71073","MoKα","","0.0368","0.0274","","0.0619","0.0583","","","","1.078","1.109","1.109","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313059","13.498","0.002","22.42","0.004","7.9943","0.0013","90","","90","","90","","2419.3","0.7","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H8 Ag N3 O3 S -","- C10 H8 Ag N3 O3 S -","- C80 H64 Ag8 N24 O24 S8 -","8","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Ki-Min Park; Shim Sung Lee","Subtle Role of Polyatomic Anions in Molecular Construction: Structures and Properties of AgX Bearing 2,4'-Thiobis(pyridine) (X-= NO3-, BF4-, ClO4-, PF6-, CF3CO2-, and CF3SO3-)","Inorganic Chemistry","2003","42","","844","850","10.1021/ic025935q","","","0.71073","MoKα","","0.1177","0.0931","","","0.2556","0.2798","","","","","","1.198","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313124","8.3128","0.0001","16.1704","0.0002","16.614","0.0002","90","","90","","90","","2233.28","0.05","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Mo2 N2 O4 S2 -","- C20 H18 Mo2 N2 O4 S2 -","- C80 H72 Mo8 N8 O16 S8 -","4","0.5","","Kuang-Hway Yih; Gene-Hsiang Lee; Yu Wang","Syntheses, Reactivity, and Crystal Structures of Molybdenum Complexes with Pyridine-2-thionate (pyS)-Containing Ligands: Crystal Structures of [Mo(η3-C3H5)(CO)2]2(μ-η1,η2-pyS)2, exo-[Mo(η3-C3H5)(CO)(η2-pyS)(η2-dppe)], [Mo(CO)3(η1-SC5H4NH)(η2-dppm)], and [Mo(CO)(η2-pyS)2(η2-dppm)]","Inorganic Chemistry","2003","42","","1092","1100","10.1021/ic020579x","","","0.71073","MoKα","","0.1018","0.051","","","0.1063","0.1518","","","","","","1.159","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313361","15.766","0.0005","11.972","0.0009","18.633","0.0009","90","","90","","90","","3517","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H56 B2 Ga Li N4 O -","- C32 H56 B2 Ga Li N4 O -","- C128 H224 B8 Ga4 Li4 N16 O4 -","4","0.5","","Tristram Chivers; Chantall Fedorchuk; Gabriele Schatte; Masood Parvez","Syntheses and X-ray Structures of Monocyclic, Bicyclic, and Spirocyclic Gallium and Indium Boraamidinates","Inorganic Chemistry","2003","42","","2084","2093","10.1021/ic0206286","","","0.71073","MoKα","","0.1076","0.0549","","","0.1099","0.1293","","","","","","1.075","","","","has coordinates,has disorder","179191","2020-10-21","18:00:00",""
"4313455","19.047","0.004","15.46","0.003","13.989","0.003","90","","90","","90","","4119.3","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H38 Fe2 N4 Ni2 O9 -","- C44 H38 Fe2 N4 Ni2 O9 -","- C176 H152 Fe8 N16 Ni8 O36 -","4","0.5","","Guo Dong; Li Yu-ting; Duan Chun-ying; Mo Hong; Meng Qing-jin","Heterodimetallic Compounds Assembled from Ferrocenedicarboxylato and Ferrocenecarboxylato Ligands","Inorganic Chemistry","2003","42","","2519","2530","10.1021/ic0205132","","","0.71073","MoKα","","0.1026","0.0412","","","0.0785","0.087","","","","","","1.035","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313456","18.966","0.003","15.462","0.002","14.102","0.002","90","","90","","90","","4135.4","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H38 Co2 Fe2 N4 O9 -","- C44 H38 Co2 Fe2 N4 O9 -","- C176 H152 Co8 Fe8 N16 O36 -","4","0.5","","Guo Dong; Li Yu-ting; Duan Chun-ying; Mo Hong; Meng Qing-jin","Heterodimetallic Compounds Assembled from Ferrocenedicarboxylato and Ferrocenecarboxylato Ligands","Inorganic Chemistry","2003","42","","2519","2530","10.1021/ic0205132","","","0.71073","MoKα","","0.0918","0.0506","","","0.0743","0.0798","","","","","","1.056","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313511","25.451","0.0003","13.3071","0.0001","21.7466","0.0002","90","","90","","90","","7365.12","0.12","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C31 H41 D4 N3 Rb Si4 Sn -","- C31 H45 N3 Rb Si4 Sn -","- C248 H360 N24 Rb8 Si32 Sn8 -","8","1","","Matthias Lutz; Matti Haukka; Tapani A. Pakkanen; Lutz H. Gade","Syntheses and Structural Characterization of the Heavier Alkali-Metal Stannates Bearing the Tripodal Triamino Framework: Structural Trends in the Series of [MeSi{SiMe2N(4-CH3C6H4)}3Sn][M] (M = Na, K, Rb)","Inorganic Chemistry","2003","42","","2798","2804","10.1021/ic026226f","","","0.71073","MoKα","","0.0435","0.0281","","","0.0536","0.0579","","","","","","1.079","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313514","24.7876","0.0004","13.341","0.0001","21.9895","0.0003","90","","90","","90","","7271.74","0.16","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H41 D4 K N3 O0 Si4 Sn -","- C31 H45 K N3 Si4 Sn -","- C248 H360 K8 N24 Si32 Sn8 -","8","1","","Matthias Lutz; Matti Haukka; Tapani A. Pakkanen; Lutz H. Gade","Syntheses and Structural Characterization of the Heavier Alkali-Metal Stannates Bearing the Tripodal Triamino Framework: Structural Trends in the Series of [MeSi{SiMe2N(4-CH3C6H4)}3Sn][M] (M = Na, K, Rb)","Inorganic Chemistry","2003","42","","2798","2804","10.1021/ic026226f","","","0.71073","MoKα","","0.0552","0.03","","","0.0742","0.0921","","","","","","1.134","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313628","16.879","0.0016","14.0709","0.0012","7.2228","0.0007","90","","90","","90","","1715.4","0.3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H12 Cl2 Fe N5 O2 -","- C17 H12 Cl2 Fe N5 O2 -","- C68 H48 Cl8 Fe4 N20 O8 -","4","0.5","","Ana Tesouro Vallina; Helen Stoeckli-Evans; Antonia Neels; Jürgen Ensling; Silvio Decurtins","Iron-Promoted Nucleophilic Additions to Diimine-Type Ligands: A Synthetic and Structural Study","Inorganic Chemistry","2003","42","","3374","3382","10.1021/ic026079l","","","0.71073","MoKα","","0.0517","0.0383","","","0.0893","0.0935","","","","","","0.948","","","","has coordinates,has disorder","179198","2020-10-21","18:00:00",""
"4313867","17.297","0.007","8.976","0.004","20.237","0.009","90","","90","","90","","3142","2","183","2","183","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(bis(tert-butylamido)phenylborane)-vanadium","","- C28 H46 B2 N4 V -","- C28 H46 B2 N4 V -","- C112 H184 B8 N16 V4 -","4","0.5","","David R. Manke; Daniel G. Nocera","Bis(alkylamido)phenylborane Complexes of Zirconium, Hafnium, and Vanadium","Inorganic Chemistry","2003","42","","4431","4436","10.1021/ic0340478","","","0.71073","MoKα","","0.0786","0.0435","","","0.1064","0.116","","","","","","0.947","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4313897","19.8505","0.0003","14.4878","0.0002","27.9326","0.0003","90","","90","","90","","8033.14","0.19","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C34 H42 F6 N2 O7 Pt S2 Te -","- C34 H42 F6 N2 O7 Pt S2 Te -","- C272 H336 F48 N16 O56 Pt8 S16 Te8 -","8","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Oxidative Addition of Ph2TeCl2 to a Dimethylplatinum(II) Complex: Effects of Secondary Bonding in the Platinum-Tellurium Products","Inorganic Chemistry","2003","42","","4553","4558","10.1021/ic030057x","","","0.71073","MoKα","","0.0678","0.035","","","0.0803","0.0864","","","","","","0.965","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4314059","19.446","0.004","25.677","0.005","15.778","0.003","90","","90","","90","","7878","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Cu(TINM)(NO3)2](H2O)4.5(MeOH)2.5","","- C31.25 H24 Cu N6 O21.25 -","- C31.25 H24 Cu N6 O21.25 -","- C250 H192 Cu8 N48 O170 -","8","1","","Kalle I. Nättinen; Kari Rissanen","Ligand Entrapment in Twofold Interpenetrating PtS Matrixes by Metallo-Organic Frameworks","Inorganic Chemistry","2003","42","","5126","5134","10.1021/ic034246r","","","0.71073","MoKα","","0.2482","0.1499","","","0.2983","0.3454","","","","","","1.116","","","","has coordinates,has disorder","179209","2020-10-21","18:00:00",""
"4314066","7.1361","0.0006","30.91","0.002","11.9478","0.0009","90","","90","","90","","2635.4","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H24 Ag N5 O3 -","- C32 H24 Ag N5 O3 -","- C128 H96 Ag4 N20 O12 -","4","0.5","","Nate Schultheiss; Douglas R. Powell; Eric Bosch","Silver(I) Coordination Chemistry of 2,6-Diarylpyrazines. π-Stacking, Anion Coordination, and Steric Control","Inorganic Chemistry","2003","42","","5304","5310","10.1021/ic034277m","","","0.71073","MoKα","","0.0298","0.0279","","","0.09","0.0926","","","","","","1.025","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314158","5.6347","0.0006","15.8715","0.0017","26.691","0.003","90","","90","","90","","2387","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H24 Cu2 N2 O11 S2 -","- C20 H24 Cu2 N2 O11 S2 -","- C80 H96 Cu8 N8 O44 S8 -","4","0.5","","Ke-liang Pang; Dong Guo; Chun-ying Duan; Hong Mo; Qing-jin Meng","Generation of an Equilibrating Collection of Crystalline Solids from a Dynamic Combinational Library","Inorganic Chemistry","2003","42","","5453","5455","10.1021/ic034176o","","","0.71073","MoKα","","0.0529","0.0366","","","0.0794","0.0838","","","","","","1.017","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314169","22.994","0.005","14.192","0.003","20.833","0.004","90","","90","","90","","6798","2","123","2","123","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H43 Cl Cu2 N7 O12 P -","- C26 H43 Cl Cu2 N7 O12 P -","- C208 H344 Cl8 Cu16 N56 O96 P8 -","8","1","","Fiona H. Fry; Leone Spiccia; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray; Edward R. T. Tiekink","Binuclear Copper(II) Complexes of Xylyl-Bridged Bis(1,4,7-triazacyclononane) Ligands","Inorganic Chemistry","2003","42","","5594","5603","10.1021/ic0342595","","","0.71073","MoKα","","0.1281","0.0659","","","0.0985","0.1132","","","","","","1.071","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314177","9.8861","0.0005","20.258","0.001","17.5517","0.0008","90","","90","","90","","3515.1","0.3","150","0.2","150","0.2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C15 H12 Ag F3 N4 O4 S -","- C15 H12 Ag F3 N4 O4 S -","- C120 H96 Ag8 F24 N32 O32 S8 -","8","1","","Yu-Bin Dong; Jun-Yan Cheng; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","Self-Assembly of Coordination Polymers from AgX (X = SbF6-, PF6-, and CF3SO3-) and Oxadiazole-Containing Ligands","Inorganic Chemistry","2003","42","","5699","5706","10.1021/ic034306t","","","0.71073","MoKα","","0.0614","0.0521","","","0.1087","0.1137","","","","","","1.056","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314246","16.8587","0.001","10.8356","0.0006","12.8298","0.001","90","","90","","90","","2343.7","0.3","93","","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Cu(hfac)2.hin]","4,4,5,5-tetramethylimidazolin-1-oxyl copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate polymer","","- C17 H15 Cu F12 N2 O5 -","- C17 H15 Cu F12 N2 O5 -","- C68 H60 Cu4 F48 N8 O20 -","4","0.5","","Tomoaki Ise; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami","Ferro- and Ferrimagnetic Chains of hin-Bridged Copper(II) and Manganese(II) and hnn-Bridged Manganese(II) Complexes (hin = 4,4,5,5-Tetramethylimidazolin-1-oxyl; hnn = 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)","Inorganic Chemistry","2003","42","","6106","6113","10.1021/ic034392x","","","0.71073","MoKα","","0.0817","0.0459","","","0.1081","0.1194","","","","","","0.944","","","","has coordinates,has disorder","179214","2020-10-21","18:00:00",""
"4314284","7.388","0.003","8.755","0.004","10.489","0.004","90","","90","","90","","678.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bisimidazolato-nickel(ii)","","- C6 H6 N4 Ni -","- C6 H6 N4 Ni -","- C24 H24 N16 Ni4 -","4","0.5","","Norberto Masciocchi; Fulvio Castelli; Paul M. Forster; Maya M. Tafoya; Anthony K. Cheetham","Synthesis and Characterization of Two Polymorphic Crystalline Phases and an Amorphous Powder of Nickel(II) Bisimidazolate","Inorganic Chemistry","2003","42","","6147","6152","10.1021/ic034619o","","","0.71073","MoKα","","0.0364","0.0249","","","0.0519","0.0565","","","","","","1.044","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314608","24.789","0.005","22.241","0.005","17.334","0.004","90","","90","","90","","9557","4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H50 Ag4 N10 O66 P2 W18 -","- C50 H42 Ag4 N10 O66 P2 W18 -","- C200 H168 Ag16 N40 O264 P8 W72 -","4","0.5","","Hongxun Yang; Shuiying Gao; Jian Lü; Bo Xu; Jingxiang Lin; Rong Cao","pH-Dependent Syntheses and Crystal Structures of a Series of Organic-Inorganic Hybrids Constructed from Keggin or Wells-Dawson Polyoxometalates and Silver Coordination Compounds","Inorganic Chemistry","2010","49","","736","744","10.1021/ic902091p","","","0.71073","MoKα","","0.0649","0.0549","","","0.1393","0.1466","","","","","","1.113","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4315080","25.9729","0.0005","19.574","0.0004","20.5865","0.0005","90","","90","","90","","10466","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetradecacyclopentyl-bis(silsesquioxane)-tri(oxovanadium) bis(tetrahydrofuran)-adduct","","- C78 H142 O29 Si14 V3 -","- C78 H142 O29 Si14 V3 -","- C312 H568 O116 Si56 V12 -","4","0.5","","Christian Ohde; Christian Limberg; Reinhard Stösser; Serhiy Demeshko","Oxovanadium(IV) Silsesquioxane Complexes","Inorganic Chemistry","2010","49","","2479","2485","10.1021/ic902392y","","","0.71073","MoKα","","0.1173","0.1052","","","0.2268","0.2309","","","","","","1.266","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315081","26.065","0.006","19.569","0.005","20.655","0.005","90","","90","","90","","10535","4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Tetradecacyclopentyl-bis(silsesquioxane)tri(oxovanadium) bis pyridin-adduct","","- C80 H136 N2 O27 Si14 V3 -","- C80 H136 N2 O27 Si14 V3 -","- C320 H544 N8 O108 Si56 V12 -","4","0.5","","Christian Ohde; Christian Limberg; Reinhard Stösser; Serhiy Demeshko","Oxovanadium(IV) Silsesquioxane Complexes","Inorganic Chemistry","2010","49","","2479","2485","10.1021/ic902392y","","","0.71073","MoKα","","0.1314","0.0999","","","0.2527","0.2637","","","","","","1.16","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315083","21.9","0.002","12.0018","0.0014","18.086","0.002","90","","90","","90","","4753.7","0.9","170","2","170","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H10 Cl10 Fe4 O12 S4 -","- C37 H10 Cl10 Fe4 O12 S4 -","- C148 H40 Cl40 Fe16 O48 S16 -","4","0.5","","Kévin Charreteur; Mohamed Kdider; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin","Effect of Electron-Withdrawing Dithiolate Bridge on the Electron-Transfer Steps in Diiron Molecules Related to [2Fe]H Subsite of the [FeFe]-Hydrogenases","Inorganic Chemistry","2010","49","","2496","2501","10.1021/ic902401k","","x-ray","0.71073","MoKα","","0.1551","0.0633","","","0.0897","0.1089","","","","","","0.869","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315112","11.1662","0.001","26.553","0.002","14.4125","0.0013","90","","90","","90","","4273.3","0.6","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H24 Cd4 N12 O18 -","- C40 H24 Cd4 N12 O18 -","- C160 H96 Cd16 N48 O72 -","4","0.5","","Xia Li; Benlai Wu; Ruiying Wang; Hongyun Zhang; Caoyuan Niu; Yunyin Niu; Hongwei Hou","Hierarchical Assembly of Extended Coordination Networks Constructed by Novel Metallacalix[4]arenes Building Blocks","Inorganic Chemistry","2010","49","","2600","2613","10.1021/ic901113p","","","0.71073","MoKα","","0.049","0.029","","","0.0579","0.0653","","","","","","1.024","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315258","10.322","0.005","16.501","0.008","14.416","0.007","90","","90","","90","","2455","2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Mg(OTcO3)2(THF)4","","","- C16 H32 Mg O12 Tc2 -","- C16 H32 Mg O12 Tc2 -","- C64 H128 Mg4 O48 Tc8 -","4","0.5","","Elisabeth Oehlke; Roger Alberto; Ulrich Abram","Synthesis, Characterization, and Structures of R3EOTcO3 Complexes (E = C, Si, Ge, Sn, Pb) and Related Compounds","Inorganic Chemistry","2010","49","","3525","3530","10.1021/ic1001094","","","0.71073","MoKα","","0.209","0.0666","","","0.1373","0.2117","","","","","","0.747","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315340","16.98","0.003","19.43","0.004","12.751","0.002","90","","90","","90","","4206.8","1.3","150","2","150","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C36 H40 Cl4 F4 N4 O P2 Pd2 S -","- C34 H34 Cl4 F4 N4 P2 Pd2 -","- C136 H136 Cl16 F16 N16 P8 Pd8 -","4","0.5","","Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith","Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts","Inorganic Chemistry","2010","49","","3703","3705","10.1021/ic1002308","","","0.671","synchrotron","","0.0816","0.06","","","0.1423","0.1535","","","","","","1.024","","","","has coordinates,has disorder","179233","2020-10-21","18:00:00",""
"4315535","34.7022","0.0012","9.2582","0.0003","23.1835","0.0009","90","","90","","90","","7448.4","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H56 Cl N4 O2 Ta -","- C37 H56 Cl N4 O2 Ta -","- C296 H448 Cl8 N32 O16 Ta8 -","8","1","","Ian A. Tonks; John E. Bercaw","(dme)MCl3(NNPh2) (dme = dimethoxyethane; M = Nb, Ta): A Versatile Synthon for [Ta=NNPh2] Hydrazido(2-) Complexes","Inorganic Chemistry","2010","49","","4648","4656","10.1021/ic1004193","","","0.71073","MoKα","","0.0614","0.0401","","","0.0439","0.0448","","","","","","1.939","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4315651","19.8571","0.0014","15.3014","0.0011","18.1429","0.0015","90","","90","","90","","5512.6","0.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 N6 P2 S6 V -","- C60 H40 N6 P2 S6 V -","- C240 H160 N24 P8 S24 V4 -","4","0.5","","Stephen Sproules; Thomas Weyhermüller; Serena DeBeer; Karl Wieghardt","Six-Membered Electron Transfer Series [V(dithiolene)3]z (z= 1+, 0, 1-, 2-, 3-, 4-). An X-ray Absorption Spectroscopic and Density Functional Theoretical Study","Inorganic Chemistry","2010","49","","5241","5261","10.1021/ic100344f","","","0.71073","MoKα","","0.0957","0.0574","","","0.0872","0.0996","","","","","","1.067","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315810","9.9374","0.0008","14.8792","0.0013","10.7044","0.0009","90","","90","","90","","1582.8","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H24 Fe I N4 -","- C14 H24 Fe I N4 -","- C56 H96 Fe4 I4 N16 -","4","0.5","","Corinna R. Hess; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt","Influence of the Redox Active Ligand on the Reactivity and Electronic Structure of a Series of Fe(TIM) Complexes","Inorganic Chemistry","2010","49","","5686","5700","10.1021/ic100586h","","","0.71073","MoKα","","0.0434","0.0238","","","0.0556","0.0706","","","","","","1.101","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315921","16.831","0.002","17.077","0.003","32.576","0.005","90","","90","","90","","9363","2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C49 H63 Ge2 N6 -","- C49 H63 Ge2 N6 -","- C392 H504 Ge16 N48 -","8","1","","Sakya S. Sen; Daniel Kratzert; Daniel Stern; Herbert W. Roesky; Dietmar Stalke","Reactivity Studies of a GeI-GeI Compound with and without Cleavage of the Ge-Ge Bond","Inorganic Chemistry","2010","49","","5786","5788","10.1021/ic100501e","","","0.71073","MoKα","","0.0716","0.0531","","","0.125","0.1374","","","","","","1.033","","","","has coordinates,has disorder","179239","2020-10-21","18:00:00",""
"4316004","14.9267","0.0003","12.8977","0.0002","23.5086","0.0004","90","","90","","90","","4525.88","0.14","235","2","235","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Br3 Cu3 S3 -","- C12 H30 Br3 Cu3 S3 -","- C96 H240 Br24 Cu24 S24 -","8","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0624","0.0409","","","0.0737","0.0828","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316005","14.7789","0.0017","12.9264","0.0015","23.41","0.003","90","","90","","90","","4472.2","0.9","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Br3 Cu3 S3 -","- C12 H30 Br3 Cu3 S3 -","- C96 H240 Br24 Cu24 S24 -","8","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0302","0.0241","","","0.0611","0.0652","","","","","","1.037","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316006","14.675","0.005","12.923","0.0003","23.3158","0.0004","90","","90","","90","","4421.7","1.5","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Br3 Cu3 S3 -","- C12 H30 Br3 Cu3 S3 -","- C96 H240 Br24 Cu24 S24 -","8","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0494","0.037","","","0.0694","0.0741","","","","","","1.114","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316007","14.7918","0.0004","12.9259","0.0003","23.4291","0.0006","90","","90","","90","","4479.6","0.2","195","2","195","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Br3 Cu3 S3 -","- C12 H30 Br3 Cu3 S3 -","- C96 H240 Br24 Cu24 S24 -","8","1","","Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers","Inorganic Chemistry","2010","49","","5834","5844","10.1021/ic901906h","","","0.71073","MoKα","","0.0802","0.0524","","","0.0929","0.104","","","","","","1.124","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316130","27.1183","0.0005","7.8779","0.0002","19.4131","0.0003","90","","90","","90","","4147.32","0.15","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H13 Cl4 N4 O P3 -","- C14 H13 Cl4 N4 O P3 -","- C112 H104 Cl32 N32 O8 P24 -","8","1","","Muhammet Işiklan; Nuran Asmafiliz; Ezgi Elif Özalp; Elif Ece İlter; Zeynel Kiliç; Bünyemin Çoşut; Serkan Yeşilot; Adem Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç Bilir; Leyla Açik; Emel Akyüz","Phosphorus-Nitrogen Compounds. 21. Syntheses, Structural Investigations, Biological Activities, and DNA Interactions of New N/O Spirocyclic Phosphazene Derivatives. The NMR Behaviors of Chiral Phosphazenes with Stereogenic Centers upon the Addition of Chiral Solvating Agents","Inorganic Chemistry","2010","49","","7057","7071","10.1021/ic100781v","","","0.71073","MoKα","","0.1522","0.0549","","","0.133","0.1625","","","","","","1.025","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316186","15.127","0.004","17.983","0.004","28.704","0.008","90","","90","","90","","7808","3","153","2","153","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[(Ph2PCH2CH2SPh)2Rh][Cl]","","- C43 H51 Cl0.5 O2 P Rh0.5 S -","- C43 H51 Cl0.5 O2 P Rh0.5 S -","- C344 H408 Cl4 O16 P8 Rh4 S8 -","8","1","","Michael J. Wiester; Adam B. Braunschweig; Hyojong Yoo; Chad A. Mirkin","Solvent and Temperature Induced Switching Between Structural Isomers of RhI Phosphinoalkyl Thioether (PS) Complexes","Inorganic Chemistry","2010","49","","7188","7196","10.1021/ic101021t","","","0.71073","MoKα","","0.1087","0.0511","","","0.1203","0.1535","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316335","33.925","0.005","13.348","0.005","21.907","0.005","90","0.005","90","0.005","90","0.005","9920","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C39 H48 Eu F9 N10 O10 S3 -","- C39 H46 Eu F9 N10 O9.995 S3 -","- C312 H368 Eu8 F72 N80 O79.96 S24 -","8","1","","Louise S. Natrajan; Ntai M. Khoabane; Benjamin L. Dadds; Christopher A. Muryn; Robin G. Pritchard; Sarah L. Heath; Alan M. Kenwright; Ilya Kuprov; Stephen Faulkner","Probing the Structure, Conformation, and Stereochemical Exchange in a Family of Lanthanide Complexes Derived from Tetrapyridyl-Appended Cyclen","Inorganic Chemistry","2010","49","","7700","7709","10.1021/ic100447m","","","0.71069","MoKα","","0.1552","0.0782","","","0.1659","0.2031","","","","","","1.02","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316339","34.0222","0.0014","13.3564","0.0006","21.8482","0.0008","90","","90","","90","","9928.1","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C41 H53 F9 N10 Nd O10 S3 -","- C41 H51 F9 N10 Nd O10 S3 -","- C328 H408 F72 N80 Nd8 O80 S24 -","8","1","","Louise S. Natrajan; Ntai M. Khoabane; Benjamin L. Dadds; Christopher A. Muryn; Robin G. Pritchard; Sarah L. Heath; Alan M. Kenwright; Ilya Kuprov; Stephen Faulkner","Probing the Structure, Conformation, and Stereochemical Exchange in a Family of Lanthanide Complexes Derived from Tetrapyridyl-Appended Cyclen","Inorganic Chemistry","2010","49","","7700","7709","10.1021/ic100447m","","","0.71073","MoKα","","0.1281","0.0617","","","0.1457","0.1795","","","","","","1.108","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316347","13.1179","0.0014","9.2359","0.001","12.8958","0.0014","90","","90","","90","","1562.4","0.3","183","2","183","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Lithium uranyl triperoxide decahydrate","","","- H20 Li4 O18 U -","- H20 Li4 O18 U -","- H80 Li16 O72 U4 -","4","0.5","","May Nyman; Mark A. Rodriguez; Charles F. Campana","Self-Assembly of Alkali-Uranyl-Peroxide Clusters","Inorganic Chemistry","2010","49","","7748","7755","10.1021/ic1005192","","","0.71073","MoKα","","0.0215","0.0153","","","0.0335","0.036","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316821","7.783","0.007","10.951","0.01","18.722","0.018","90","","90","","90","","1596","3","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C4 H7 Cu O7.5 -","- C4 H7 Cu O7.5 -","- C32 H56 Cu8 O60 -","8","1","","Shao-Ming Fang; Qiang Zhang; Min Hu; E. Carolina Sañudo; Miao Du; Chun-Sen Liu","From Infinite One-Dimensional Helix to Discrete CuII15 Cluster along with in Situ SN2 Ring-Cleavage of cis-Epoxysuccinic Acid: pH-Controlled Assemblies, Crystal Structures, and Properties","Inorganic Chemistry","2010","49","","9617","9626","10.1021/ic101278w","","","0.71073","MoKα","","0.0337","0.0297","","","0.0813","0.0847","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316842","25.508","0.005","13.194","0.003","21.653","0.004","90","","90","","90","","7287","3","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H82 In6 N18 Ni3 O2 S18 Sb4 -","- C24 H78 In6 N18 Ni2.996 O2 S18 Sb4 -","- C96 H312 In24 N72 Ni11.984 O8 S72 Sb16 -","4","0.5","","Jian Zhou; Xian-Hong Yin; Feng Zhang","Two Novel Thioindate-Thioantimonate Compounds [Ni(dien)2]2In2Sb4S11 and [Ni(dien)2]3(In3Sb2S9)2.2H2O with Transition Metal Complexes","Inorganic Chemistry","2010","49","","9671","9676","10.1021/ic101382u","","","0.71073","MoKα","","0.0931","0.0611","","","0.1386","0.1541","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4316959","18.13","0.0004","25.3252","0.0005","14.4407","0.0005","90","","90","","90","","6630.4","0.3","100","2","100","2","","","","","","","Maria Angeles Palacios Lopez","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Cl2 N20 Ni4 O22 -","- C44 H45.5 N20 Ni4 O10 -","- C176 H182 N80 Ni16 O40 -","4","0.5","","M. A. Palacios; Antonio J. Mota; Jesús E. Perea-Buceta; Fraser J. White; Euan K. Brechin; Enrique Colacio","Antiferromagnetic versus Ferromagnetic Exchange Interactions in Bis(μ-Ooximate)dinickel(II) Units for a Series of Closely Related Cube Shaped Carboxamideoximate-Bridged Ni4 Complexes. A Combined Experimental and Theoretical Magneto-Structural Study","Inorganic Chemistry","2010","49","","10156","10165","10.1021/ic101435b","","","1.5418","CuKα","","0.0472","0.0386","","","0.1051","0.1106","","","","","","1.093","","","","has coordinates,has disorder","179249","2020-10-21","18:00:00",""
"4317177","18.6514","0.0004","12.1264","0.0003","23.1478","0.0004","90","","90","","90","","5235.44","0.19","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H64 Fe2 N8 O5 -","- C56 H64 Fe2 N8 O5 -","- C224 H256 Fe8 N32 O20 -","4","0.5","","Christopher J. Whiteoak; Rafael Torres Martin de Rosales; Andrew J. P. White; George J. P. Britovsek","Iron(II) Complexes with Tetradentate Bis(aminophenolate) Ligands: Synthesis and Characterization, Solution Behavior, and Reactivity with O2","Inorganic Chemistry","2010","49","","11106","11117","10.1021/ic1016998","","","1.54184","CuKα","","0.0417","0.0324","","","0.0943","0.0972","","","","","","1.03","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317329","15.1091","0.0004","23.5591","0.0009","16.4439","0.0004","90","","90","","90","","5853.3","0.3","270","2","270","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H90 Cl2 Ni2 O18 Ti4 -","- C36 H90 Cl2 Ni2 O18 Ti4 -","- C144 H360 Cl8 Ni8 O72 Ti16 -","4","0.5","","Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright","Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages","Inorganic Chemistry","2010","49","","11532","11540","10.1021/ic101687m","","","0.71073","MoKα","","0.0818","0.0494","","","0.1118","0.1289","","","","","","1.055","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317479","16.125","0.005","16.553","0.005","16.822","0.004","90","","90","","90","","4490","2","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16.5 H21 Cl1.5 Cu F1.5 N3 O9.5 -","- C15.75 H17 Cl1.5 Cu F1.5 N3 O9.25 -","- C126 H136 Cl12 Cu8 F12 N24 O74 -","8","1","","C. Belle; C. Beguin; I. Gautier-Luneau; S. Hamman; C. Philouze; J. L. Pierre; F. Thomas; S. Torelli; E. Saint-Aman; M. Bonin","Dicopper(II) Complexes of H-BPMP-Type Ligands: pH-Induced Changes of Redox, Spectroscopic (19F NMR Studies of Fluorinated Complexes), Structural Properties, and Catecholase Activities","Inorganic Chemistry","2002","41","","479","491","10.1021/ic010534g","","","0.71073","MoKα","","0.0698","0.0698","","0.0721","","0.0721","","","1.987","","","1.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317724","23.84","0.006","20.405","0.005","19.321","0.005","90","","90","","90","","9399","4","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C57 H45 Fe0.5 N3.5 O1.5 P3 -","- C58 H45 Fe0.5 N3.5 O P3 -","- C464 H360 Fe4 N28 O8 P24 -","8","1","","Stephen M. Contakes; Sodio C. N. Hsu; Thomas B. Rauchfuss; Scott R. Wilson","Preparative and Structural Studies on the Carbonyl Cyanides of Iron, Manganese, and Ruthenium: Fundamentals Relevant to the Hydrogenases","Inorganic Chemistry","2002","41","","1670","1678","10.1021/ic011030l","","","0.71073","MoKα","","0.0845","0.0427","","","0.1194","0.1356","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317905","16.225","0.003","16.32","0.002","18.052","0.003","90","","90","","90","","4780","1.3","296.2","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H50 Cl3 Mn2 N11 O12 -","- C37 H50 Cl3 Mn2 N11 O12 -","- C148 H200 Cl12 Mn8 N44 O48 -","4","0.5","","Richard J. Parker; Leone Spiccia; Boujemaa Moubaraki; Keith S. Murray; David C. R. Hockless; A. David Rae; Anthony C. Willis","Structure and Magnetism of Heptanuclear Complexes Formed on Encapsulation of Hexacyanoferrate(II) with the Mn(II) and Ni(II) Complexes of 1,4-Bis(2-pyridylmethyl)-1,4,7-triazacyclononane","Inorganic Chemistry","2002","41","","2489","2495","10.1021/ic010711d","","","0.7107","MoKα","","0.096","0.046","","0.075","","0.065","","","1.415","","","1.61","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4318014","10.401","0.003","26.428","0.003","8.065","0.004","90","","90","","90","","2216.9","1.3","296.2","","","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cu F6 Fe N2 P S2 -","- C20 H16 Cu F6 Fe N2 P S2 -","- C80 H64 Cu4 F24 Fe4 N8 P4 S8 -","4","0.5","","Ryo Horikoshi; Tomoyuki Mochida; Hiroshi Moriyama","Synthesis and Characterization of Redox-Active Coordination Polymers Generated from Ferrocene-Containing Bridging Ligands","Inorganic Chemistry","2002","41","","3017","3024","10.1021/ic011176k","","","0.7107","MoKα","","","0.0779","","","","0.2098","","","","","","2.67","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318163","17.0145","0.0018","13.9266","0.0015","21.518","0.002","90","","90","","90","","5098.8","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H62 N8 Ru2 Si2 -","- C46 H62 N8 Ru2 Si2 -","- C184 H248 N32 Ru8 Si8 -","4","0.5","","Guolin Xu; Charles Campana; Tong Ren","Tetrakis(N,N'-dimethylbenzamidinato)diruthenium(III) Compounds Bearing Axial Chloro and Alkynyl Ligands: A New Family of Redox Rich Diruthenium Compounds","Inorganic Chemistry","2002","41","","3521","3527","10.1021/ic0200794","","","0.71073","MoKα","","0.0762","0.039","","","0.0818","0.1014","","","","","","1.055","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318184","23.311","0.002","20.25","0.002","23.093","0.002","90","","90","","90","","10901","1.7","173","2","173","2","","","","","","","G. Hofmeister - Gustavus Adolphus College","4","P b c n","-P 2n 2ab","60","99358aa_Al(trisphenolate)2","","","- C54 H71 Al O3 -","- C54 H71 Al O3 -","- C432 H568 Al8 O24 -","8","1","","William O. Appiah; Angela D. DeGreeff; Gina L. Razidlo; Sarah J. Spessard; Maren Pink; Victor G. Young,; Gretchen E. Hofmeister","Linear Trimer Analogues of Calixarene as Chiral Coordinating Ligands: X-ray Crystallographic and NMR Spectroscopic Characterization of Chiral and Achiral Trisphenolates Complexed to Titanium(IV) and Aluminum(III)","Inorganic Chemistry","2002","41","","3656","3667","10.1021/ic010685j","","","0.71073","MoKα","","0.0842","0.0623","","0.2002","0.1775","","","","1.1","1.171","1.171","","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318228","9.4421","0.0005","21.7356","0.0011","19.1037","0.001","90","","90","","90","","3920.6","0.4","193","2","193","2","","","","","","","","7","P b c n","-P 2n 2ab","60","[Pd(S2cyclophane)2][SO3CF3]2","","","- C36 H32 F6 N O6 Pd S6 -","- C36 H32 F6 N O6 Pd S6 -","- C144 H128 F24 N4 O24 Pd4 S24 -","4","0.5","","Jorge Tiburcio; William D. Jones; Stephen J. Loeb; Hugo Torrens","Conformational Behavior and Coordination Chemistry of 2,11-Dithia[3.3]orthocyclophane with Platinum Group Metals","Inorganic Chemistry","2002","41","","3779","3785","10.1021/ic0256157","","","0.71073","MoKα","","0.0582","0.0403","","","0.0855","0.0913","","","","","","1.115","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318396","19.5868","0.0006","11.8261","0.0003","22.2825","0.0006","90","","90","","90","","5161.4","0.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H54 Au2 N6 O8 P2 S2 -","- C49 H54 Au2 N6 O8 P2 S2 -","- C196 H216 Au8 N24 O32 P8 S8 -","4","0.5","","William J. Hunks; Michael C. Jennings; Richard J. Puddephatt","Supramolecular Gold(I) Thiobarbiturate Chemistry: Combining Aurophilicity and Hydrogen Bonding to Make Polymers, Sheets, and Networks","Inorganic Chemistry","2002","41","","4590","4598","10.1021/ic020178h","","","0.71073","MoKα","","0.0596","0.049","","","0.1431","0.1509","","","","","","0.977","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318445","5.2006","0.0006","8.471","0.001","29.479","0.003","90","","90","","90","","1298.7","0.3","183","2","183","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H14 O4 S2 Te -","- C8 H14 O4 S2 Te -","- C32 H56 O16 S8 Te4 -","4","0.5","","Holger Fleischer; Dieter Schollmeyer","Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols","Inorganic Chemistry","2002","41","","4739","4747","10.1021/ic020277v","","","0.71069","MoKα","","0.0625","0.036","","","0.0869","0.0984","","","","","","1.063","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318446","5.147","0.0003","8.6904","0.0005","31.795","0.0018","90","","90","","90","","1422.17","0.14","183","2","183","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H14 O2 S4 Te -","- C8 H14 O2 S4 Te -","- C32 H56 O8 S16 Te4 -","4","0.5","","Holger Fleischer; Dieter Schollmeyer","Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols","Inorganic Chemistry","2002","41","","4739","4747","10.1021/ic020277v","","","0.71069","MoKα","","0.0554","0.0401","","","0.0817","0.0861","","","","","","1.163","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318563","14.23","0.0002","24.6236","0.0003","25.7343","0.0003","90","","90","","90","","9017.1","0.2","200","2","200","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C39.5 H32 Cl F6 N2 O10 P2 Pd S2 -","- C39.5 H32 Cl F6 N2 O10 P2 Pd S2 -","- C316 H256 Cl8 F48 N16 O80 P16 Pd8 S16 -","8","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt; Kenneth W. Muir","Self-Assembly of Polymer and Sheet Structures in Palladium(II) Complexes Containing Carboxylic Acid Substituents","Inorganic Chemistry","2002","41","","5174","5186","10.1021/ic020239b","","","0.71073","MoKα","","0.087","0.056","","","0.1772","0.1945","","","","","","1.108","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4318616","11.2933","0.0012","14.3595","0.0016","39.38","0.004","90","","90","","90","","6386.1","1.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H30 N6 O11 Tm -","- C28 H30 N6 O11 Tm -","- C224 H240 N48 O88 Tm8 -","8","1","","L. Valencia; J. Martinez; A. Macías; R. Bastida; R. A. Carvalho; C. F. G. C. Geraldes","X-ray Diffraction and 1H NMR in Solution: Structural Determination of Lanthanide Complexes of a Py2N6Ac4 Ligand","Inorganic Chemistry","2002","41","","5300","5312","10.1021/ic0257017","","","0.71073","MoKα","","0.188","0.1169","","","0.221","0.2424","","","","","","1.225","","","","has coordinates,has disorder","179266","2020-10-21","18:00:00",""
"4318617","11.3079","0.0005","14.3748","0.0007","39.5019","0.0019","90","","90","","90","","6421","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 Er N6 O12 -","- C28 H35 Er N6 O12 -","- C224 H280 Er8 N48 O96 -","8","1","","L. Valencia; J. Martinez; A. Macías; R. Bastida; R. A. Carvalho; C. F. G. C. Geraldes","X-ray Diffraction and 1H NMR in Solution: Structural Determination of Lanthanide Complexes of a Py2N6Ac4 Ligand","Inorganic Chemistry","2002","41","","5300","5312","10.1021/ic0257017","","","0.71073","MoKα","","0.0818","0.0442","","","0.0902","0.0992","","","","","","1.054","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318648","27.904","0.008","11.64","0.003","7.546","0.002","90","","90","","90","","2451","1.1","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cd N2 O6 P2 -","- C26 H20 Cd N2 O6 P2 -","- C104 H80 Cd4 N8 O24 P8 -","4","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Yong Cui; Kraig A. Wheeler; Wenbin Lin","Nonlinear Optically Active Polymeric Coordination Networks Based on Metalm-Pyridylphosphonates","Inorganic Chemistry","2002","41","","4978","4980","10.1021/ic025819n","","","0.71073","MoKα","","0.0296","0.0244","","","0.06","0.0619","","","","","","1.057","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318804","15.009","0.005","17.797","0.004","31.461","0.005","90","","90","","90","","8404","4","296","","296","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H42 N3 O6 P -","- C51 H42 N3 O6 P -","- C408 H336 N24 O48 P8 -","8","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","Mononuclear Ca(II)-Bulky Aryl-Phosphate Monoanion and Dianion Complexes with Ortho-Amide Groups","Inorganic Chemistry","2002","41","","6038","6047","10.1021/ic010570f","","","0.71069","MoKα","","0.2918","0.0435","","","0.1147","0.2133","","","","","","0.816","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318909","21.4089","0.0006","8.0931","0.0002","24.2109","0.0007","90","","90","","90","","4194.9","0.2","293.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H50 Cu2 N6 O6 -","- C42 H50 Cu2 N6 O6 -","- C168 H200 Cu8 N24 O24 -","4","0.5","","Douglas J. E. Spencer; Anne M. Reynolds; Patrick L. Holland; Brian A. Jazdzewski; Carole Duboc-Toia; Laurent Le Pape; Seiji Yokota; Yoshimitsu Tachi; Shinobu Itoh; William B. Tolman","Copper Chemistry of β-Diketiminate Ligands: Monomer/Dimer Equilibria and a New Class of Bis(μ-oxo)dicopper Compounds","Inorganic Chemistry","2002","41","","6307","6321","10.1021/ic020369k","","","0.7107","MoKα","","","0.034","","","","0.045","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318935","19.2612","0.0007","9.4618","0.0003","9.3779","0.0003","90","","90","","90","","1709.08","0.1","296.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Eu2 Mo5 O18 -","- Eu2 Mo5 O18 -","- Eu8 Mo20 O72 -","4","0.5","","Haruo Naruke; Toshihiro Yamase","Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd) Prepared by Thermal Decomposition of Polyoxomolybdate Precursor [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O","Inorganic Chemistry","2002","41","","6514","6520","10.1021/ic025697z","","","0.7107","MoKα","","","0.0251","","","","0.0679","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318936","19.246","0.001","9.4414","0.0005","9.3446","0.0004","90","","90","","90","","1698","0.15","296.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Gd2 Mo5 O18 -","- Gd2 Mo5 O18 -","- Gd8 Mo20 O72 -","4","0.5","","Haruo Naruke; Toshihiro Yamase","Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd) Prepared by Thermal Decomposition of Polyoxomolybdate Precursor [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O","Inorganic Chemistry","2002","41","","6514","6520","10.1021/ic025697z","","","0.7107","MoKα","","","0.0166","","","","0.0394","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318982","24.507","0.003","10.092","0.005","37.047","0.009","90","","90","","90","","9163","5","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H23.5 N5 O4.25 Pd -","- C23 H23 N5 O4.25 Pd -","- C368 H368 N80 O68 Pd16 -","16","2","","F. Cariati; U. Caruso; R. Centore; W. Marcolli; A. De Maria; B. Panunzi; A. Roviello; A. Tuzi","Synthesis, Structure, and Second-Order Nonlinear Optical Properties of Copper(II) and Palladium(II) Acentric Complexes with N-Salicylidene-N'-aroylhydrazine Tridentate Ligands","Inorganic Chemistry","2002","41","","6597","6603","10.1021/ic020127k","","x-ray","0.71069","Mokα","","0.296","0.0681","","","0.1224","0.1797","","","","","","0.923","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4318995","13.467","0.006","14.127","0.007","20.298","0.005","90","","90","","90","","3862","3","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H21 Ag N O2 P -","- C21 H21 Ag N O2 P -","- C168 H168 Ag8 N8 O16 P8 -","8","1","","Augusto Cingolani; Effendy; Maura Pellei; Claudio Pettinari; Carlo Santini; Brian W. Skelton; Allan H. White","Variable Coordination Modes of NO2- in a Series of Ag(I) Complexes Containing Triorganophosphines, -arsines, and -stibines. Syntheses, Spectroscopic Characterization (IR, 1H and 31P NMR, Electrospray Ionization Mass), and Structures of [AgNO2(R3E)x] Adducts (E = P, As, Sb, x = 1-3)","Inorganic Chemistry","2002","41","","6633","6645","10.1021/ic020375g","","","0.71073","MoKα","","","0.036","","0.069","","0.044","","","0.053","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319025","11.975","0.007","16.442","0.007","11.655","0.007","90","","90","","90","","2295","2","293.2","","293.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 B F4 Fe4 -","- C48 H48 B F8 Fe8 -","- C192 H192 B4 F32 Fe32 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino","Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)","Inorganic Chemistry","2002","41","","6726","6730","10.1021/ic025763x","","","0.7107","MoKα","","0.0588","0.0588","","","0.0855","0.0855","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319252","17.141","0.001","17.837","0.001","31.983","0.002","90","","90","","90","","9778.6","1","153","","153","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H124 K2 O13 S8 -","- C90 H124 K2 O13 S8 -","- C360 H496 K8 O52 S32 -","4","0.5","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.097","0.08","","0.094","","0.086","","","1.345","","","1.875","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319288","24.1665","0.0011","25.9408","0.0011","32.738","0.0015","90","","90","","90","","20523.4","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C99.33 H155.33 O7.33 Zn5 -","- C99.32 H155.3 O7.33 Zn5 -","- C794.56 H1242.4 O58.64 Zn40 -","8","1","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0732","0.0395","","","0.1024","0.1171","","","","","","0.995","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4319424","10.34","0.0001","19.5016","0.0002","35.7684","0.0005","90","","90","","90","","7212.57","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 Co N2 O12 S32 -","- C53 H40 Co N O13 S32 -","- C212 H160 Co4 N4 O52 S128 -","4","0.5","","Lee Martin; Scott S. Turner; Peter Day; Philippe Guionneau; Judith A. K. Howard; Dai E. Hibbs; Mark E. Light; Michael B. Hursthouse; Mikio Uruichi; Kyuyo Yakushi","Crystal Chemistry and Physical Properties of Superconducting and Semiconducting Charge Transfer Salts of the Type (BEDT-TTF)4[AIMIII(C2O4)3].PhCN (AI= H3O, NH4, K; MIII= Cr, Fe, Co, Al; BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2001","40","","1363","1371","10.1021/ic001193u","","","0.71073","MoKα","","0.0863","0.0742","","","0.1971","0.2046","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319425","10.318","0.007","19.46","0.004","35.808","0.008","90","","90","","90","","7190","5","150","2","423","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 Al N2 O12 S32 -","- C53 H36 Al N2 O12 S32 -","- C212 H144 Al4 N8 O48 S128 -","4","0.5","","Lee Martin; Scott S. Turner; Peter Day; Philippe Guionneau; Judith A. K. Howard; Dai E. Hibbs; Mark E. Light; Michael B. Hursthouse; Mikio Uruichi; Kyuyo Yakushi","Crystal Chemistry and Physical Properties of Superconducting and Semiconducting Charge Transfer Salts of the Type (BEDT-TTF)4[AIMIII(C2O4)3].PhCN (AI= H3O, NH4, K; MIII= Cr, Fe, Co, Al; BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2001","40","","1363","1371","10.1021/ic001193u","","","0.71069","MoKα","","0.1421","0.0437","","0.1058","0.0887","","","","0.673","0.946","0.946","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319453","13.171","0.003","10.086","0.002","16.613","0.003","90","","90","","90","","2206.9","0.8","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Ir(ppy)2(acac)","","","- C27 H23 Ir N2 O2 -","- C27 H23 Ir N2 O2 -","- C108 H92 Ir4 N8 O8 -","4","0.5","","Sergey Lamansky; Peter Djurovich; Drew Murphy; Feras Abdel-Razzaq; Raymond Kwong; Irina Tsyba; Manfred Bortz; Becky Mui; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Phosphorescent Cyclometalated Iridium Complexes","Inorganic Chemistry","2001","40","","1704","1711","10.1021/ic0008969","","","0.71073","MoKα","","0.087","0.0678","","0.2558","0.2199","","","","1.129","1.171","1.171","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319479","12.365","0.002","15.485","0.003","13.405","0.002","90","","90","","90","","2566.7","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B Cl6.43 I6.8 Zr6 -","- B Cl6.44 I6.67 Zr6 -","- B4 Cl25.76 I26.68 Zr24 -","4","0.5","","Martin Köckerling; Johannes B. Willems; Paul D. Boyle","[(Zr6B)Cl11-xI2+x] (0 <=x<= 6): A New Mixed-Halide Structure with Zigzag Chains of Clusters in Multiply Twinned Crystals","Inorganic Chemistry","2001","40","","1439","1444","10.1021/ic991359v","","","0.71073","MoKα","","","0.062","","","","0.1422","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319508","14.298","0.005","15.333","0.005","24.378","0.005","90","","90","","90","","5344","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H82 N8 Ni P4 S4 -","- C19.5 H40.5 N4 Ni0.5 P2 S2 -","- C156 H324 N32 Ni4 P16 S16 -","8","1","","Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-","Inorganic Chemistry","2001","40","","1936","1942","10.1021/ic001173s","","","0.71069","MoKα","","0.0657","0.0371","","","0.0839","0.0933","","","","","","0.943","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319901","16.2614","0.0009","12.7546","0.0007","23.2873","0.0012","90","","90","","90","","4830","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Co(TPP)(1-BuNH2)2]SbF6","bis(1-butylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C52 H50 Co F6 N6 Sb -","- C52 H50 Co F6 N6 Sb -","- C208 H200 Co4 F24 N24 Sb4 -","4","0.5","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0867","0.0592","","","0.0852","0.0925","","","","","","1.182","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4319902","17.0323","0.0008","12.2935","0.0006","23.4079","0.0011","90","","90","","90","","4901.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Co(TPP)(BzNH2)2]SbF6","bis(benzylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C58 H46 Co F6 N6 Sb -","- C58 H46 Co F6 N6 Sb -","- C232 H184 Co4 F24 N24 Sb4 -","4","0.5","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0433","0.0342","","","0.0759","0.0803","","","","","","1.098","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319930","17.228","0.008","11.979","0.004","11.177","0.005","90","","90","","90","","2306.6","1.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H34 Ag2 N8 O8 -","- C16 H34 Ag2 N8 O8 -","- C64 H136 Ag8 N32 O32 -","4","0.5","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0935","0.0499","","","0.1176","0.1362","","","","","","0.988","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320379","23.102","0.004","15.6338","0.0016","20.557","0.003","90","","90","","90","","7424.6","1.8","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","m-H2O-{ZnII(OEB-10,19-(CN)2)}2o0.5acetoneo0.6H2O","","","- C75.8 H89.65 N12.3 O4.1 Zn2 -","- C75.838 H85.66 N12.338 O4.1 Zn2 -","- C303.352 H342.64 N49.352 O16.4 Zn8 -","4","0.5","","James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch","Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes","Inorganic Chemistry","2001","40","","5585","5595","10.1021/ic0103300","","","1.54178","CuKα","","0.1335","0.08","","","0.2063","0.2454","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320612","14.1456","0.0004","21.0391","0.0005","35.0323","0.0009","90","","90","","90","","10426","0.5","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C47 H50 F6 N4 O10 P2 Pd S2 -","- C47 H50 F6 N4 O10 P2 Pd S2 -","- C376 H400 F48 N32 O80 P16 Pd8 S16 -","8","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.1142","0.0561","","","0.1237","0.1412","","","","","","1.017","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320872","7.0065","0.0004","11.7976","0.0006","19.52","0.0014","90","","90","","90","","1613.52","0.17","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F24 Ge20 H69.34 N16 O38.67 -","- F24 Ge20 H69.344 N16 O38.672 -","- F24 Ge20 H69.344 N16 O38.672 -","1","0.125","","Tony Conradsson; Xiaodong Zou; Mike S. Dadachov","Synthesis and Crystal Structure of a Novel Germanate: (NH4)4[(GeO2)3(GeO1.5F3)2].0.67H2O","Inorganic Chemistry","2000","39","","1716","1720","10.1021/ic9911217","","","0.71073","MoKα","","0.0316","0.0223","","","0.0514","0.0544","","","","","","0.767","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320976","15.4848","0.0003","13.8186","0.0002","19.0782","0.0001","90","","90","","90","","4082.32","0.1","","","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H42 Er2 N12 O21 Pt3 -","- C12 Er2 N12 O21 Pt3 -","- C48 Er8 N48 O84 Pt12 -","4","0.5","","Andreas Loosli; Markus Wermuth; Hans-Ueli Güdel; Silvia Capelli; Jürg Hauser; Hans-Beat Bürgi","Crystal Structure and Optical Spectroscopy of Er~2~[Pt(CN)~4~]~3~.21H~2~O and Er~2~[Pt(CN)~4~]~2~.SO~4~.11.5H~2~O","Inorganic Chemistry","2000","39","","2289","2293","10.1021/ic991137x","","","0.71073","MoKα","","0.049","0.0274","","","0.0593","0.0677","","","","","","1.165","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321413","23.225","0.002","24.799","0.007","22.912","0.003","90","","90","","90","","13196","4","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H64 Cl4 F3 Ir2 N8 O10 -","- C64 H60 Cl4 F3 Ir2 N8 O10 -","- C512 H480 Cl32 F24 Ir16 N64 O80 -","8","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","A Reliable Method of Preparation of Diiridium Paddlewheel Complexes: Structures of the First Compounds with Ir25+ Cores","Inorganic Chemistry","2000","39","","4574","4578","10.1021/ic000527c","","","0.71073","MoKα","","0.1326","0.0425","","0.1158","0.0923","","","","1.017","1.145","1.145","","","","","has coordinates,has disorder","179317","2020-10-21","18:00:00",""
"4321552","13.468","0.003","16.652","0.003","14.977","0.003","90","","90","","90","","3358.9","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dipyridine-diaqua-(4,4'-biphenyldicarboxylato) Cobalt(II) dipyridine monohydrate","","- C34 H34 Co N4 O7 -","- C34 H34 Co N4 O7 -","- C136 H136 Co4 N16 O28 -","4","0.5","","Long Pan; Nancy Ching; Xiaoying Huang; Jing Li","Reactions and Reactivity of Co-bpdc Coordination Polymers (bpdc = 4,4'-biphenyldicarboxylate)","Inorganic Chemistry","2000","39","","5333","5340","10.1021/ic0004939","","","0.71073","MoKα","","0.1409","0.047","","","0.0843","0.0977","","","","","","1.16","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321771","7.6015","0.0008","20.12","0.008","19.07","0.006","90","","90","","90","","2916.6","1.5","213","2","213","2","","","","","","","synthesized","5","P b c n","-P 2n 2ab","60","","Bis(dichloro-bis(diethylphosphine))-di-molybdenum (II), 1,3,6,8-isomer","","- C16 H44 Cl4 Mo2 P4 -","- C16 H44 Cl4 Mo2 P4 -","- C64 H176 Cl16 Mo8 P16 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4","Inorganic Chemistry","1999","38","","490","495","10.1021/ic980972w","","","0.71073","MoKα","","0.0407","0.0345","","0.0827","0.0783","","","","1.094","1.111","1.111","","","","","has coordinates,has disorder","179320","2020-10-21","18:00:00",""
"4322098","20.856","0.004","13.523","0.003","13.203","0.003","90","","90","","90","","3723.7","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Ru(bpy)(CO)3Cl]+[Cl]-.(H5O2)+(Cl)-","","","- C13 H13 Cl3 N2 O5 Ru -","- C13 H13 Cl3 N2 O5 Ru -","- C104 H104 Cl24 N16 O40 Ru8 -","8","1","","Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen","Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions","Inorganic Chemistry","1999","38","","3182","3189","10.1021/ic981266y","","","0.71073","MoKα","","0.0251","0.0203","","","0.0498","0.0505","","","","","","0.934","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322179","15.598","0.003","10.44","0.002","7.533","0.003","90","","90","","90","","1226.7","0.6","198","2","194","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(phenylthiolato)tellurium","","- C12 H10 S2 Te -","- C12 H10 S2 Te -","- C48 H40 S8 Te4 -","4","0.5","","Holger Fleischer; Sandra Stauf; Dieter Schollmeyer","Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2","Inorganic Chemistry","1999","38","","3725","3729","10.1021/ic990104e","","","0.71069","MoKα","","0.1154","0.044","","","0.0761","0.0946","","","","","","1.026","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322237","18.393","0.005","14.428","0.002","17.396","0.002","90","","90","","90","","4616.4","1.5","296.2","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C33 H39 Cl6 N3 O13 Ru3 -","- C33 H39 Cl6 N3 O13 Ru3 -","- C132 H156 Cl24 N12 O52 Ru12 -","4","0.5","","Ken-ichiro Ota; Hirokazu Sasaki; Taeko Matsui; Tomohiko Hamaguchi; Tadashi Yamaguchi; Tasuku Ito; Hiroaki Kido; Clifford P. Kubiak","Syntheses and Properties of a Series of Oxo-Centered Triruthenium Complexes and Their Bridged Dimers with Isocyanide Ligands at Terminal and Bridging Positions","Inorganic Chemistry","1999","38","","4070","4078","10.1021/ic990234n","","","0.7107","MoKα","","","0.0314","","","0.0356","","","","","","","1.829","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322250","27.9972","0.0009","8.8713","0.0003","19.5939","0.0006","90","","90","","90","","4866.6","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H26 Cl2 Cu2 N2 O14 -","- C15 H22 Cl2 Cu2 N2 O14 -","- C120 H176 Cl16 Cu16 N16 O112 -","8","1","","Anbanandam Asokan; Babu Varghese; Periakaruppan T. Manoharan","Synthesis, Structure, Magnetic Properties, and 1H NMR Studies of a Moderately Antiferromagnetically Coupled Binuclear Copper(II) Complex","Inorganic Chemistry","1999","38","","4393","4399","10.1021/ic9813617","","","0.71073","MoKα","","0.0799","0.0586","","0.1866","0.1677","","","","1.113","1.15","1.15","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322401","14.368","0.004","25.469","0.007","18.479","0.005","90","","90","","90","","6762","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H54 Cl4 N24 Ni4 O28 -","- C44 H54 Cl4 N24 Ni4 O28 -","- C176 H216 Cl16 N96 Ni16 O112 -","4","0.5","","Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard","Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies","Inorganic Chemistry","1999","38","","5266","5276","10.1021/ic990598f","","","0.71073","MoKα","","0.0871","0.0449","","","0.1043","0.1194","","","","","","1.022","","","","has coordinates,has disorder","179327","2020-10-21","18:00:00",""
"4322515","33.284","0.007","14.956","0.003","17.381","0.004","90","","90","","90","","8652","3","203","2","203","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H66 Cl4 Li N3 O3 Si2 Zr -","- C31 H66 Cl4 Li N3 O3 Si2 Zr -","- C248 H528 Cl32 Li8 N24 O24 Si16 Zr8 -","8","1","","Wood; Glenn P. A. Yap; Darrin S. Richeson","N-Substituted Guanidinate Anions as Ancillary Ligands in Group 4 Chemistry. Syntheses and Characterization of M{RNC[N(SiMe3)2]NR}2Cl2, [M{CyNC[N(SiMe3)2]NCy}Cl3]- (M = Zr, Hf; R =iPr, Cy), and Zr{CyNC[N(SiMe3)2]NCy}(CH2Ph)3","Inorganic Chemistry","1999","38","","5788","5794","10.1021/ic990668i","","","0.71073","MoKα","","0.0946","0.0802","","","0.2408","0.2532","","","","","","1.016","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322516","12.5453","0.0017","17.701","0.002","18.012","0.002","90","","90","","90","","3999.8","0.8","203","2","203","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H64 Cl2 N6 Si4 Zr -","- C26 H64 Cl2 N6 Si4 Zr -","- C104 H256 Cl8 N24 Si16 Zr4 -","4","0.5","","Wood; Glenn P. A. Yap; Darrin S. Richeson","N-Substituted Guanidinate Anions as Ancillary Ligands in Group 4 Chemistry. Syntheses and Characterization of M{RNC[N(SiMe3)2]NR}2Cl2, [M{CyNC[N(SiMe3)2]NCy}Cl3]- (M = Zr, Hf; R =iPr, Cy), and Zr{CyNC[N(SiMe3)2]NCy}(CH2Ph)3","Inorganic Chemistry","1999","38","","5788","5794","10.1021/ic990668i","","","0.71073","MoKα","","0.1532","0.0654","","","0.1686","0.1978","","","","","","1.041","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322597","14.3839","0.0014","17.7539","0.0014","25.9967","0.001","90","","90","","90","","6638.8","0.9","294.2","","294.2","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H106 N4 O2 P4 Si4 Zr2 -","- C52 H106 N4 O2 P4 Si4 Zr2 -","- C208 H424 N16 O8 P16 Si16 Zr8 -","4","0.5","","Jonathan D. Cohen; Michael D. Fryzuk; Thomas M. Loehr; Murugesapillai Mylvaganam; Steven J. Rettig","Synthesis and Structure of a Zirconium Dinitrogen Complex with a Side-On Bridging N2 Unit","Inorganic Chemistry","1998","37","","112","119","10.1021/ic9709786","","","1.5418","CuKα","","","0.037","","","0.034","","","","","1.64","1.64","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322689","27.868","0.003","11.373","0.003","16.884","0.002","90","","90","","90","","5351.3","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(Me5CpCr)2B4H7Co(CO)3","","- C23 H37 B4 Co Cr2 O3 -","- C23 H37 B4 Co Cr2 O3 -","- C184 H296 B32 Co8 Cr16 O24 -","8","1","","Simon Aldridge; Hisako Hashimoto; Kazumori Kawamura; Maoyu Shang; Thomas P. Fehlner","Cluster Expansion Reactions of Group 6 Metallaboranes. Syntheses, Crystal Structures, and Spectroscopic Characterizations of (Cp*Cr)2B5H9, (Cp*Cr)2B4H8Fe(CO)3, (Cp*Cr)2B4H7Co(CO)3, and (Cp*Mo)2B5H9Fe(CO)3","Inorganic Chemistry","1998","37","","928","940","10.1021/ic971251k","","","0.71073","MoKα","","0.1241","0.0703","","0.1842","0.1404","","","","1.141","1.102","1.102","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322942","14.686","0.002","21.295","0.005","28.767","0.005","90","","90","","90","","8997","3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[cesium mono(2,4,6-tri-t-butylbenzene)phosphide](mu-pyridine) (6)","","- C41 H65 Cs2 N P2 -","- C41 H63 Cs2 N P2 -","- C328 H504 Cs16 N8 P16 -","8","1","","Gerd W. Rabe; Henrike Heise; Glenn P. A. Yap; Louise M. Liable-Sands; Ilia A. Guzei; Arnold L. Rheingold","Molecular Structures of the Heavier Alkali Metal Salts of Supermesitylphosphane: A Systematic Investigation","Inorganic Chemistry","1998","37","","4235","4245","10.1021/ic971178y","","","0.71073","MoKα","","0.1011","0.0561","","0.1317","0.1153","","","","1.196","1.533","1.533","","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4322943","14.6162","0.0002","21.3992","0.0003","28.7037","0.0002","90","","90","","90","","8977.8","0.19","219","2","219","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[cesium mono(2,4,6-tri-t-butylbenzene)phosphide](mu-N-methylimidazole) (7)","","- C40 H66 Cs2 N2 P2 -","- C40 H64 Cs2 N2 P2 -","- C320 H512 Cs16 N16 P16 -","8","1","","Gerd W. Rabe; Henrike Heise; Glenn P. A. Yap; Louise M. Liable-Sands; Ilia A. Guzei; Arnold L. Rheingold","Molecular Structures of the Heavier Alkali Metal Salts of Supermesitylphosphane: A Systematic Investigation","Inorganic Chemistry","1998","37","","4235","4245","10.1021/ic971178y","","","0.71073","MoKα","","0.0447","0.0357","","0.1096","0.1026","","","","1.268","1.288","1.288","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4322944","14.5533","0.0002","21.4258","0.0005","28.599","0.0005","90","","90","","90","","8917.6","0.3","218","2","218","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Rb bis(2,4,6-tri-t-butylbenzene) phosphine (mu-N-methylimidazole) (8)","","- C40 H66 N2 P2 Rb2 -","- C40 H64 N2 P2 Rb2 -","- C320 H512 N16 P16 Rb16 -","8","1","","Gerd W. Rabe; Henrike Heise; Glenn P. A. Yap; Louise M. Liable-Sands; Ilia A. Guzei; Arnold L. Rheingold","Molecular Structures of the Heavier Alkali Metal Salts of Supermesitylphosphane: A Systematic Investigation","Inorganic Chemistry","1998","37","","4235","4245","10.1021/ic971178y","","","0.71073","MoKα","","0.091","0.0461","","0.1045","0.0903","","","","1.182","1.366","1.366","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4322969","11.47","0.002","11.39","0.002","14.753","0.001","90","","90","","90","","1927.4","0.5","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","(4,4'-bipy)(DMSO)cobalt chloride","","","- C14 H20 Cl2 Co N2 O2 S2 -","- C14 H20 Cl2 Co N2 O2 S2 -","- C56 H80 Cl8 Co4 N8 O8 S8 -","4","0.5","","Jian Lu; Carolyn Yu; Tianyan Niu; Tasneem Paliwala; Gerardo Crisci; Fernando Somosa; Allan J. Jacobson","One-Dimensional Coordination Polymers of Cobalt with 4,4'-Bipyridine: Syntheses and Structures","Inorganic Chemistry","1998","37","","4637","4640","10.1021/ic971614g","","","0.71073","MoKα","","0.0366","0.026","","0.1029","0.0882","","","","0.804","0.772","0.772","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323092","13.532","0.004","12.889","0.004","21.439","0.006","90","","90","","90","","3739.3","1.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H42 Au2 N2 P2 S4 -","- C36 H42 Au2 N2 P2 S4 -","- C144 H168 Au8 N8 P8 S16 -","4","0.5","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; Elena Olmos; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Dithiocarbamate Ligands as Building-Blocks in the Coordination Chemistry of Gold","Inorganic Chemistry","1998","37","","5532","5536","10.1021/ic971600a","","","0.71073","MoKα","","0.1178","0.045","","0.0987","0.0837","","","","0.811","1.016","1.016","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323122","12.0841","0.0003","14.4948","0.0004","16.7751","0.0004","90","","90","","90","","2938.27","0.13","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H38 N2 Ni2 O4 S4 -","- C24 H38 N2 Ni2 O4 S4 -","- C96 H152 N8 Ni8 O16 S16 -","4","0.5","","Charles R. Cornman; Kevin L. Jantzi; Joseph I. Wirgau; Thad C. Stauffer; Jeff W. Kampf; Paul D. Boyle","Coordination Chemistry of a Tripodal S2ON Ligand: Syntheses, Structures, and Reactivity of the Molybdenum(VI) and Nickel(II) Complexes of Bis(2-mercaptoethyl)-2-amino-4-methylphenol (H3btap) and Comparison to V^V^O(btap)","Inorganic Chemistry","1998","37","","5851","5855","10.1021/ic9802956","","","0.71073","MoKα","","0.0493","0.037","","0.0697","0.0653","","","","1.129","1.163","1.163","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323123","6.6596","0.0009","13.7446","0.0009","32.992","0.002","90","","90","","90","","3019.9","0.5","148","","148","","","","","","","","","7","P b c n","-P 2n 2ab","60","K[Mo^VI^O2(btap)]","Potassium bis(2-mercaptoethyl)-2-amino-4-methylphenoldioxomolybdate(VI)","","- C11 H16 K Mo N O4 S2 -","- C11 H16 K Mo N O4 S2 -","- C88 H128 K8 Mo8 N8 O32 S16 -","8","1","","Charles R. Cornman; Kevin L. Jantzi; Joseph I. Wirgau; Thad C. Stauffer; Jeff W. Kampf; Paul D. Boyle","Coordination Chemistry of a Tripodal S2ON Ligand: Syntheses, Structures, and Reactivity of the Molybdenum(VI) and Nickel(II) Complexes of Bis(2-mercaptoethyl)-2-amino-4-methylphenol (H3btap) and Comparison to V^V^O(btap)","Inorganic Chemistry","1998","37","","5851","5855","10.1021/ic9802956","","","0.71073","MolybdenumKα","","0.042","0.041","","0.05","0.049","","","","","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323142","6.808","0.001","11.777","0.002","11.856","0.002","90","","90","","90","","950.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","8,9,10,12-tetrafluro-o-carborane","","- C2 H8 B10 F4 -","- C2 H8 B10 F4 -","- C8 H32 B40 F16 -","4","0.5","","Konstantin A. Lyssenko; Mikhail Yu. Antipin; Viatcheslav N. Lebedev","Topological Analysis of the Electron Density Distribution in the Crystal of 8,9,10,12-Tetrafluoro-o-carborane on the Basis of the High-Resolution X-ray Diffraction Data at 120 K","Inorganic Chemistry","1998","37","","5834","5843","10.1021/ic9807644","","","0.71073","MoKα","","0.0581","0.0325","","0.0953","0.0719","","","","1.061","1.131","1.131","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323160","12.7022","0.0002","12.6197","0.0001","23.011","0.0001","90","","90","","90","","3688.62","0.07","166","2","166","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H27 O3 Tl -","- C17 H27 O3 Tl -","- C136 H216 O24 Tl8 -","8","1","","Gleb A. Abakumov; Vladimir K. Cherkasov; Vladimir I. Nevodchikov; Vyacheslav A. Kuropatov; Bruce C. Noll; Cortlandt G. Pierpont","Synthesis and Structure of a Polymeric Complex of Tl(III) Containing Bis(semiquinone) Bridging Ligands","Inorganic Chemistry","1998","37","","6117","6119","10.1021/ic980364g","","","0.71073","MoKα","","0.0435","0.0279","","0.0736","0.0647","","","","1.066","1.097","1.097","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323192","19.056","0.005","18.997","0.004","19.919","0.006","90","","90","","90","","7211","3","23","","23","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H76 F12 N10 Ni4 O12 P2 -","- C212 H264 F48 N40 Ni16 O56 P8 -","- C212 H264 F48 N40 Ni16 O56 P8 -","","","","Syunsuke Uozumi; Hideki Furutachi; Masaaki Ohba; Hisashi Ōkawa; David E. Fenton; Kenji Shindo; Susumu Murata; David J. Kitko","Dinuclear Nickel(II) Complexes of an Unsymmetric ""End-Off"" Compartmental Ligand: Conversion of Urea into Cyanate at a Dinuclear Nickel Core","Inorganic Chemistry","1998","37","","6281","6287","10.1021/ic9807689","","","0.7107","MoKalpha","","","0.066","","","0.078","","","","","2.37","2.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323298","13.413","0.003","14.693","0.003","14.24","0.003","90","","90","","90","","2806.4","1","143","2","143","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H16 I3 P -","- C7 H16 I3 P -","- C56 H128 I24 P8 -","8","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.0757","0.0646","","0.2005","0.1798","","","","1.072","1.112","1.112","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323470","27.8224","0.0001","14.2541","0.0002","14.5549","0.0002","90","","90","","90","","5772.23","0.12","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H40 B Cl N7 Rh -","- C24 H40 B Cl N7 Rh -","- C192 H320 B8 Cl8 N56 Rh8 -","8","1","","Douglas D. Wick; William D. Jones","Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes","Inorganic Chemistry","1997","36","","2723","2729","10.1021/ic961337y","","","0.71073","MoKα","","0.0735","0.0442","","0.1075","0.0924","","","","1.078","1.122","1.122","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323625","17.7189","0.0004","17.4806","0.0003","25.7123","0.0006","90","","90","","90","","7964.1","0.3","148","2","148","2","","","","","","","Dichloromethane/Acetonitrile","6","P b c n","-P 2n 2ab","60","","Bis[hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato]cobalt(II)","","- C81.5 H96 B2 Cl5 Co N13 -","- C81.5 H96 B2 Cl5 Co N12.5 -","- C326 H384 B8 Cl20 Co4 N50 -","4","0.5","","Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont","Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand","Inorganic Chemistry","1997","36","","4860","4865","10.1021/ic970244t","","","0.71073","MoKα","","0.066","0.0538","","0.1577","0.1438","","","","1.05","1.062","1.062","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323648","17.01","0.004","17.524","0.003","22.671","0.005","90","","90","","90","","6758","2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Cs12 H30 O57 V18 -","- Cs12 O57 V18 -","- Cs48 O228 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1391","0.0933","","0.2504","0.2074","","","","1.227","1.367","1.367","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323657","17.09","0.004","17.443","0.004","22.697","0.005","90","","90","","90","","6766","3","293","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs11 H27 O54 S V18 -","- Cs11 O54 S V18 -","- Cs44 O216 S4 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1172","0.0722","","0.2084","0.1779","","","","1.132","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323927","15.002","0.003","16.034","0.003","16.251","0.003","90","","90","","90","","3909","1.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","[Fe((DMG)BPh2)2(PY)(NH3)].CH2Cl2","mono(ammine)mono(pyridine)bis(dimethylglyoximato(diphenylborato))iron(II)","","- C38 H43 B2 Cl2 Fe N6 O4 -","- C38.313 H41.058 B2 Cl2 Fe N5.687 O4.313 -","- C153.252 H164.232 B8 Cl8 Fe4 N22.748 O17.252 -","4","0.5","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0885","0.0572","","0.1629","0.1409","","","","1.089","1.158","1.158","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324218","23.676","0.005","9.0739","0.0018","28.876","0.006","90","","90","","90","","6204","2","213","2","213","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H64 F12 Hg2 N4 O5 P2 S4 -","- C50 H64 F12 Hg2 N4 O5 P2 S4 -","- C200 H256 F48 Hg8 N16 O20 P8 S16 -","4","0.5","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0649","0.0575","","","0.1265","0.1296","","","","","","1.226","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324381","28.038","0.003","22.37","0.002","30.391","0.004","90","","90","","90","","19062","4","150","2","150","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C86 H74 Ag3 Cl F24 Fe N24 O6 P4 -","- C86 H72 Ag3 Cl F24 Fe N24 O6 P4 -","- C688 H576 Ag24 Cl8 F192 Fe8 N192 O48 P32 -","8","1","","Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert","Self-Assembly of a Metallomacrocycle Templated by Iron(II)","Inorganic Chemistry","2011","50","","726","728","10.1021/ic102350t","","","0.71073","MoKα","","0.2734","0.1484","","","0.3335","0.404","","","","","","1.031","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324464","9.9638","0.0018","18.45","0.003","18.082","0.003","90","","90","","90","","3324.1","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Mg-Formate-1","","","- C14 H12 Mg6 N O24 -","- C14 H12 Mg6 N O24 -","- C56 H48 Mg24 N4 O96 -","4","0.5","","Arijit Mallick; Subhadeep Saha; Pradip Pachfule; Sudip Roy; Rahul Banerjee","Structure and Gas Sorption Behavior of a New Three Dimensional Porous Magnesium Formate","Inorganic Chemistry","2011","50","","1392","1401","10.1021/ic102057p","","","0.71073","MoKα","","0.1337","0.0687","","","0.1257","0.1567","","","","","","0.937","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324538","29.861","0.004","21.602","0.003","12.9186","0.0017","90","","90","","90","","8333.2","1.9","133","2","133","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H49 Al B2 F2 N2 O3 -","- C44 H49 Al B2 F2 N2 O3 -","- C352 H392 Al8 B16 F16 N16 O24 -","8","1","","Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu","Synthesis of Boroxine-Linked Aluminum Complexes","Inorganic Chemistry","2011","50","","2010","2014","10.1021/ic1022906","","","0.71073","MoKα","","0.105","0.0778","","","0.1491","0.1609","","","","","","1.15","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4324611","7.008","0.002","30.224","0.009","24.257","0.007","90","","90","","90","","5138","3","293.15","","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49 H42 N4 O16 Pb2 -","- C49 H24 N4 O16 Pb2 -","- C196 H96 N16 O64 Pb8 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0708","0.05","","","0.1116","0.1231","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324636","18.0224","0.0004","28.5223","0.0006","28.2868","0.0007","90","","90","","90","","14540.6","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C154 H110 Ag6 Au8 F12 O3 P6 -","- C154 H110 Ag6 Au8 F12 O3 P6 -","- C616 H440 Ag24 Au32 F48 O12 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Janne Jänis; Matti Haukka; Sergey P. Tunik; Pi-Tai Chou; Tapani A. Pakkanen","Stepwise 1D Growth of Luminescent Au(I)-Ag(I) Phosphine-Alkynyl Clusters: Synthesis, Photophysical, and Theoretical Studies","Inorganic Chemistry","2011","50","","2395","2403","10.1021/ic102204h","","","0.71073","MoKα","","0.0686","0.036","","","0.0777","0.0891","","","","","","1.03","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324807","25.5442","0.0017","10.7982","0.0007","20.7211","0.0013","90","","90","","90","","5715.5","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","Compound 6","","","- C18 H42 Cl2 N4 O6 Pt S2 -","- C18 H42.0012 Cl2 N4 O6 Pt S2 -","- C144 H336.01 Cl16 N32 O48 Pt8 S16 -","8","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0427","0.0248","","","0.0499","0.0566","","","","","","1.021","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4325046","21.702","0.004","24.328","0.005","15.58","0.003","90","","90","","90","","8226","3","223","2","223","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C44 H79 B2 Br5 Cu6 N13 O1.5 S6 W2 -","- C44 H79 B2 Br5 Cu6 N13 O1.5 S6 W2 -","- C176 H316 B8 Br20 Cu24 N52 O6 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0579","0.0489","","","0.1312","0.1376","","","","","","1.162","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325051","21.152","0.004","24.156","0.005","15.478","0.003","90","","90","","90","","7908","3","223","2","223","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C42 H74 B2 Cl5 Cu6 N13 O S6 W2 -","- C42 H74 B2 Cl5 Cu6 N13 O S6 W2 -","- C168 H296 B8 Cl20 Cu24 N52 O4 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0565","0.0503","","","0.1356","0.1399","","","","","","1.184","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325117","27.9112","0.0011","15.4306","0.0006","26.3171","0.001","90","","90","","90","","11334.4","0.8","120","","120","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C51 H90 Cl Co Hf I0.02 N4.97 O1.5 P3 -","- C51 H90 Cl Co Hf I0.0153 N4.9694 O1.5 P3 -","- C408 H720 Cl8 Co8 Hf8 I0.1224 N39.7552 O12 P24 -","8","1","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0604","0.0318","","0.0661","0.0611","0.0661","","","","","","1.0005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325205","33.6475","0.0002","10.7686","0.0001","24.2059","0.0001","90","","90","","90","","8770.68","0.1","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[K(18-crown-6)THF][Zn(Mes)3]","","- C43 H65 K O7 Zn -","- C43 H65 K O7 Zn -","- C344 H520 K8 O56 Zn8 -","8","1","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0645","0.0407","","","0.1037","0.1137","","","","","","1.039","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325283","11.6865","0.001","22.137","0.0019","23.058","0.002","90","","90","","90","","5965.2","0.9","123.1","","123.1","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H68 Cl2 Co N12 -","- C64 H76 Cl2 Co N12 -","- C256 H304 Cl8 Co4 N48 -","4","0.5","","Satoru Karasawa; Noboru Koga","Magnetic Properties after Irradiation of 1:4 Complexes Consisting of CoX2, X = NCS-, Cl-, and NCO-, and Phenylpyridyldiazomethane in Dilute Frozen Solutions: Axial Ligand Effect in Heterospin Single-Molecule Magnets","Inorganic Chemistry","2011","50","","5186","5195","10.1021/ic200482y","","","0.71075","MoKα","","","0.0858","","","","0.3033","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325409","27.1622","0.0017","6.8916","0.0004","17.646","0.0011","90","","90","","90","","3303.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H8 O40 Pu2 S9 na10 -","- Na10 O40 Pu2 S9 -","- Na40 O160 Pu8 S36 -","4","0.5","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0455","0.0347","","","0.0898","0.0962","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325690","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","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1077","0.0873","","","0.2201","0.2348","","","","","","1.066","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325761","20.5128","0.0016","18.4721","0.0015","20.9387","0.0018","90","","90","","90","","7934","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 Co N2 O6 -","- C92 H112 Co N2 O6 -","- C368 H448 Co4 N8 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1092","0.05","","","0.1134","0.1513","","","","","","1.055","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325762","21.056","0.004","18.298","0.003","20.642","0.004","90","","90","","90","","7953","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 N2 Ni O6 -","- C92 H112 N2 Ni O6 -","- C368 H448 N8 Ni4 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1482","0.0622","","","0.127","0.1651","","","","","","0.983","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325763","20.558","0.01","18.436","0.009","20.851","0.008","90","","90","","90","","7903","6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 Cu N2 O6 -","- C92 H112 Cu N2 O6 -","- C368 H448 Cu4 N8 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1025","0.0449","","","0.0567","0.0617","","","","","","0.98","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325764","20.5359","0.0015","18.5434","0.0014","21.0061","0.0015","90","","90","","90","","7999.2","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 N2 O6 Zn -","- C92 H112 N2 O6 Zn -","- C368 H448 N8 O24 Zn4 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1029","0.0392","","","0.0601","0.0687","","","","","","0.791","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325778","19.846","0.003","15.115","0.003","18.293","0.003","90","","90","","90","","5487.4","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Mo N6 P2 S6 -","- C60 H40 Mo N6 P2 S6 -","- C240 H160 Mo4 N24 P8 S24 -","4","0.5","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0602","0.0325","","","0.0688","0.0904","","","","","","1.197","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325781","19.908","0.0003","15.1931","0.0003","18.3256","0.0003","90","","90","","90","","5542.84","0.16","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 N6 P2 S6 W -","- C60 H40 N6 P2 S6 W -","- C240 H160 N24 P8 S24 W4 -","4","0.5","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0464","0.0297","","","0.0644","0.0715","","","","","","1.019","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4326024","18.6314","0.0009","16.0854","0.0008","24.9485","0.0011","90","","90","","90","","7476.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H52 Cl4 N4 Ru2 -","- C35 H52 Cl4 N4 Ru2 -","- C280 H416 Cl32 N32 Ru16 -","8","1","","Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht","Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes","Inorganic Chemistry","2011","50","","8188","8196","10.1021/ic200651h","","","0.71073","MoKα","","0.0622","0.0336","","","0.0617","0.0666","","","","","","0.891","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326116","10.5937","0.0006","22.9086","0.0013","12.0364","0.001","90","","90","","90","","2921.1","0.3","123","","123","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C5 As3 O5 P S3 W -","- C5 As3 O5 P S3 W -","- C40 As24 O40 P8 S24 W8 -","8","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.54184","CuKα","","0.0509","0.0434","","","0.136","0.1417","","","","","","1.015","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326136","9.306","0.006","14.002","0.01","16.898","0.018","90","","90","","90","","2202","3","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H32 Fe N6 O2 -","- C18 H32 Fe N6 O2 -","- C72 H128 Fe4 N24 O8 -","4","0.5","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.0927","0.0573","","","0.1463","0.1731","","","","","","1.033","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326169","25.112","0.0013","37.4052","0.0015","22.9822","0.0011","90","","90","","90","","21587.6","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C152 H192 Cl11 Eu4 N24 O88 -","- C152 H192 Cl11 Eu4 N24 O88 -","- C608 H768 Cl44 Eu16 N96 O352 -","4","0.5","","Badr El Aroussi; Laure Guénée; Prodipta Pal; Josef Hamacek","Lanthanide-Mediated Supramolecular Cages and Host-Guest Interactions","Inorganic Chemistry","2011","50","","8588","8597","10.1021/ic201156q","","","0.71073","MoKα","","0.1274","0.081","","","0.2213","0.236","","","","","","1.137","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326556","14.0669","0.0005","10.0625","0.0004","27.967","0.001","90","","90","","90","","3958.7","0.3","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba25.96 Cu64 Eu6.04 P120 -","- Ba25.96 Cu64 Eu6.04 P120 -","- Ba25.96 Cu64 Eu6.04 P120 -","1","0.125","","Kirill Kovnir; Ulrike Stockert; Sergij Budnyk; Yurii Prots; Michael Baitinger; Silke Paschen; Andrei V. Shevelkov; Yuri Grin","Introducing a Magnetic Guest to a Tetrel-Free Clathrate: Synthesis, Structure, and Properties of EuxBa8-xCu16P30 (0 <=x<= 1.5)","Inorganic Chemistry","2011","50","","10387","10396","10.1021/ic201474h","","","0.71073","MoKα","","0.0718","0.0332","","0.0718","","0.0332","","","","","","1.95","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326649","21.741","0.002","20.335","0.002","16.42","0.001","90","","90","","90","","7259.3","1.1","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C36 H37 Ag B F4 N4 P S -","- C36 H37 Ag B F4 N4 P S -","- C288 H296 Ag8 B8 F32 N32 P8 S8 -","8","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0653","0.0355","","","0.0837","0.0998","","","","","","1.022","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4327069","16.414","0.003","22.426","0.005","18.926","0.004","90","","90","","90","","6967","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H47 Cl Ge N2 -","- C35 H47 Cl Ge N2 -","- C280 H376 Cl8 Ge8 N16 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1155","0.0689","","","0.1835","0.2092","","","","","","1.029","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327070","16.504","0.003","22.298","0.005","18.868","0.004","90","","90","","90","","6944","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H47 Cl N2 Sn -","- C35 H47 Cl N2 Sn -","- C280 H376 Cl8 N16 Sn8 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0819","0.0448","","","0.1114","0.1295","","","","","","1.03","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327120","20.032","0.008","15.316","0.006","18.062","0.007","90","","90","","90","","5542","4","150","2","150","","","","","","","","dichloromethane/pentane","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 N6 P2 Re S6 -","- C60 H40 N6 P2 Re S6 -","- C240 H160 N24 P8 Re4 S24 -","4","0.5","","Stephen Sproules; Thomas Weyhermüller; Richard Goddard; Karl Wieghardt","The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency","Inorganic Chemistry","2011","50","","12623","12631","10.1021/ic2016534","","","0.8","synchrotron","","0.0482","0.0363","","","0.0778","0.0841","","","","","","1.224","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327255","17.9821","0.0011","9.7449","0.0006","22.7374","0.0015","90","","90","","90","","3984.4","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Co(DH)2(4-t-BuPy)","","","- C17 H27 Co N5 O4 -","- C17 H27 Co N5 O4 -","- C136 H216 Co8 N40 O32 -","8","1","","Alan M. Stolzenberg; Sarah R. Workman; Jessica E. Gutshall; Jeffrey L. Petersen; Novruz Akhmedov","Syntheses and Characterization of Organo-Group 14 Cobaloxime Compounds","Inorganic Chemistry","2007","46","","6744","6754","10.1021/ic070251+","","x-ray","0.71073","MoKα","","0.0579","0.043","","","0.1099","0.123","","","","","","1.035","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327358","18.5958","0.0011","15.5449","0.0009","24.486","0.002","90","","90","","90","","7078.2","0.8","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C63 H72 Cl2 Cu2 O4 P6 S4 -","- C63 H72 Cl2 Cu2 O4 P6 S4 -","- C252 H288 Cl8 Cu8 O16 P24 S16 -","4","0.5","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0521","0.0474","","0.1365","0.1311","","","","1.129","1.136","1.136","","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327365","8.6313","0.0004","18.9876","0.001","16.4104","0.001","90","","90","","90","","2689.5","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 Mn N4 S2.5 Sb -","- C6 H18 Mn N4 S2.5 Sb -","- C48 H144 Mn8 N32 S20 Sb8 -","8","1","","Michael Schaefer; Christian Näther; Nicolai Lehnert; Wolfgang Bensch","Solvothermal Syntheses, Crystal Structures, and Thermal Properties of New Manganese Thioantimonates(III): The First Example of the Thermal Transformation of an Amine-Rich Thioantimonate into an Amine-Poorer Thioantimonate","Inorganic Chemistry","2004","43","","2914","2921","10.1021/ic034970+","","","0.71073","MoKα","","0.0409","0.029","","","0.0665","0.0726","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327552","28.322","0.005","9.765","0.001","25.021","0.004","90","","90","","90","","6919.9","1.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C61 H72 Mn2 N15 Ni2 O19 -","- C61 H72 Mn2 N15 Ni2 O19 -","- C244 H288 Mn8 N60 Ni8 O76 -","4","0.5","","George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro","Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns","Inorganic Chemistry","2001","40","","1562","1570","10.1021/ic000578+","","","0.71073","MoKα","","0.1086","0.0567","","0.1323","0.115","","","","0.974","1.141","1.141","","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327602","13.005","0.0009","15.5912","0.0011","23.5684","0.0017","90","","90","","90","","4778.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Eu N4 O10.5 -","- C21 H24 Eu N4 O10.5 -","- C168 H192 Eu8 N32 O84 -","8","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0387","0.024","","","0.0613","0.073","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327603","12.9206","0.0005","15.5322","0.0007","23.3491","0.001","90","","90","","90","","4685.8","0.3","193","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Tb2 -","- C42 H48 N8 O21 Tb2 -","- C168 H192 N32 O84 Tb8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0443","0.0267","","","0.0605","0.0737","","","","","","0.992","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327604","12.9007","0.0016","15.519","0.0019","23.378","0.003","90","","90","","90","","4680.4","1","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 Ho2 N8 O21 -","- C42 H48 Ho2 N8 O21 -","- C168 H192 Ho8 N32 O84 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0423","0.0268","","","0.0595","0.0614","","","","","","1.085","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327605","12.8585","0.0007","15.4897","0.0008","23.3167","0.0012","90","","90","","90","","4644.1","0.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Tm2 -","- C42 H48 N8 O21 Tm2 -","- C168 H192 N32 O84 Tm8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.057","0.0256","","","0.0562","0.0751","","","","","","0.943","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327606","12.8499","0.0007","15.4787","0.0009","23.307","0.0013","90","","90","","90","","4635.8","0.5","298","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Yb2 -","- C42 H48 N8 O21 Yb2 -","- C168 H192 N32 O84 Yb8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0678","0.0292","","","0.0556","0.0592","","","","","","0.848","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327608","13.0347","0.0015","15.6221","0.0017","23.506","0.004","90","","90","","90","","4786.5","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Gd N4 O10.5 -","- C21 H24 Gd N4 O10.5 -","- C168 H192 Gd8 N32 O84 -","8","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0424","0.0234","","","0.0496","0.0526","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327660","24.3131","0.0003","21.54","0.0001","19.8936","0.0003","90","","90","","90","","10418.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs2 Ni4 O48 P W9 -","- Cs2 Ni4 O48 P W9 -","- Cs16 Ni32 O384 P8 W72 -","8","1","","Ulrich Kortz; André Tézé; Gilbert Hervé","A Cubane-Substituted Polyoxoanion: Structure and Magnetic Properties of Cs2[H2PW9Ni4O34(OH)3(H2O)6].5H2O","Inorganic Chemistry","1999","38","","2038","2042","10.1021/ic981138+","","","0.71073","MoKα","","0.1319","0.0804","","0.2108","0.1699","","","","1.132","1.133","1.133","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327797","11.3145","0.0013","11.7552","0.0015","17.525","0.002","90","","90","","90","","2330.9","0.5","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C112 H96 N32 -","8","1","","Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet","Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes","Inorganic Chemistry","2012","51","","320","327","10.1021/ic201668r","","","0.71073","MoKα","","0.0888","0.0689","","","0.1832","0.2014","","","","","","1.029","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327976","10.6042","0.0011","17.6925","0.0016","17.61","0.0017","90","","90","","90","","3303.9","0.6","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(1-(2-Guanidinoethyl)-1,4,7-triazacyclononane)copper(II)perchlorate","","","- C18 H45 Cl3 Cu2 N12 O13 -","- C18 H45 Cl3 Cu2 N12 O13 -","- C72 H180 Cl12 Cu8 N48 O52 -","4","0.5","","Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia","Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants","Inorganic Chemistry","2012","51","","939","953","10.1021/ic2019814","","","0.71073","MoKα","","0.0504","0.0366","","","0.0937","0.1019","","","","","","1.039","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328175","12.9812","0.0008","10.7751","0.0007","21.5408","0.0014","90","","90","","90","","3013","0.3","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 N6 Ru S2 -","- C36 H26 N6 Ru S2 -","- C144 H104 N24 Ru4 S8 -","4","0.5","","Guocan Li; Lipika Ray; Elliot N. Glass; Kirill Kovnir; Andrey Khoroshutin; Serge I. Gorelsky; Michael Shatruk","Synthesis of Panchromatic Ru(II) Thienyl-Dipyrrin Complexes and Evaluation of Their Light-Harvesting Capacity","Inorganic Chemistry","2012","51","","1614","1624","10.1021/ic2019204","","","0.71073","MoKα","","0.0254","0.0219","","","0.0593","0.062","","","","","","1.055","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328334","21.528","0.0007","7.1419","0.0002","12.7174","0.0005","90","","90","","90","","1955.31","0.11","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","LAlH2","","","- C21 H27 Al N2 -","- C21 H27 Al N2 -","- C84 H108 Al4 N8 -","4","0.5","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0594","0.0468","","","0.1091","0.1148","","","","","","1.079","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328343","15.448","0.003","8.5409","0.0017","13.949","0.003","90","","90","","90","","1840.4","0.6","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H20 B2 F4 Fe N6 O4 -","- C12 H20 B2 F4 Fe N6 O4 -","- C48 H80 B8 F16 Fe4 N24 O16 -","4","0.5","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.7749","Synchrotron","","0.04","0.0327","","","0.0735","0.0743","","","","","","2.44","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4328402","21.622","0.002","30.812","0.003","22.008","0.002","90","","90","","90","","14662","2","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H74 B4 F16 N18 Pd4 -","- C94 H74 B4 F16 N18 Pd4 -","- C376 H296 B16 F64 N72 Pd16 -","4","0.5","","Lin Qin; Liao-Yuan Yao; Shu-Yan Yu","Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands","Inorganic Chemistry","2012","51","","2443","2453","10.1021/ic202407b","","","0.71073","MoKα","","0.0756","0.0535","","","0.1268","0.1325","","","","","","1.068","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328431","7.0784","0.0007","11.7918","0.0011","24.599","0.002","90","","90","","90","","2053.2","0.3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cesium 3,3'-commo-(10-iodo-1,2-dicarba-3-cobalta-closo-dodecaborane) -(10'-iodo-1',2'-dicarba-3'-cobalta-closo-dodecaborane)","","- C4 H20 B18 Co Cs I2 -","- C4 H20 B18 Co Cs I2 -","- C16 H80 B72 Co4 Cs4 I8 -","4","0.5","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","MoKα","","0.0528","0.0352","","","0.0962","0.103","","","","","","1.077","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328566","12.5628","0.0003","18.4647","0.0005","12.3963","0.0003","90","","90","","90","","2875.55","0.12","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H52 Ir4 -","- C32 H52 Ir4 -","- C128 H208 Ir16 -","4","0.5","","Kuang-Hway Yih; Isil K. Hamdemir; Joseph E. Mondloch; Ercan Bayram; Saim Özkar; Relja Vasić; Anatoly I. Frenkel; Oren P. Anderson; Richard G. Finke","Synthesis and Characterization of [Ir(1,5-Cyclooctadiene)(μ-H)]4: A Tetrametallic Ir4H4- Core, Coordinatively Unsaturated Cluster","Inorganic Chemistry","2012","51","","3186","3193","10.1021/ic2026494","","","0.71073","MoKα","","0.0183","0.0151","","","0.0312","0.0319","","","","","","1.111","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328600","12.7377","0.0011","23.275","0.002","16.5439","0.0015","90","","90","","90","","4904.8","0.7","183","2","183","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H39 Cl6 Ga2 N9 O2 -","- C50 H32 Cl6 Ga2 N9 O2 -","- C200 H128 Cl24 Ga8 N36 O8 -","4","0.5","","Wenchan Jiang; John D. Gorden; Christian R. Goldsmith","A Homogeneous Gallium(III) Compound Selectively Catalyzes the Epoxidation of Alkenes","Inorganic Chemistry","2012","51","","2725","2727","10.1021/ic300159a","","x-ray","0.71073","MoKα","","0.0657","0.0476","","","0.1124","0.121","","","","","","1.081","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328635","17.428","0.004","20.418","0.004","18.156","0.004","90","","90","","90","","6461","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H30 Cl2 Cu2 P2 -","- C36 H30 Cl2 Cu2 P2 -","- C288 H240 Cl16 Cu16 P16 -","8","1","","Rathinasabapathi Prabhakaran; Palaniappan Kalaivani; Somanur V. Renukadevi; Rui Huang; Kittusamy Senthilkumar; Ramasamy Karvembu; Karuppannan Natarajan","Copper Ion Mediated Selective Cleavage of C-S Bond in Ferrocenylthiosemicarbazone Forming Mixed Geometrical [(PPh3)Cu(μ-S)2Cu(PPh3)2] Having Cu2S2Core: Toward a New Avenue in Copper-Sulfur Chemistry","Inorganic Chemistry","2012","51","","3525","3532","10.1021/ic2022616","","","0.71073","MoKα","","0.035","0.0237","","","0.0839","0.0959","","","","","","0.762","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4329041","14.5504","0.0005","29.2736","0.0009","25.1803","0.0007","90","","90","","90","","10725.4","0.6","90","2","90","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H57 Ag2 F3 N19 O13 S -","- C46 H57 Ag2 F3 N19 O13 S -","- C368 H456 Ag16 F24 N152 O104 S8 -","8","1","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71073","MoKα","","0.0615","0.0552","","","0.1201","0.124","","","","","","1.083","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329049","51.2141","0.0012","12.2883","0.0003","19.6383","0.0004","90","","90","","90","","12359.1","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H95 Fe2 Mn N8 O15 -","- C50 H95 Fe2.01 Mn0.99 N8 O15 -","- C400 H760 Fe16.08 Mn7.92 N64 O120 -","8","1","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.1273","0.077","","","0.1902","0.2047","","","","","","0.998","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329057","23.695","0.004","10.2775","0.0018","9.9729","0.0018","90","","90","","90","","2428.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H22 Co2 N3 O11 -","- C21 H22 Co2 N3 O11 -","- C84 H88 Co8 N12 O44 -","4","0.5","","Chengli Jiao; Jian Zhang; Shuang Wang; Xiaoliang Si; Wansheng You; Zhangpeng Li; Zhonggang Wang; Hao Yu; Zelimir Gabelica; Huai-Ying Zhou; Lixian Sun; Fen Xu","Polarized Micropores in a Novel 3D Metal-Organic Framework for Selective Adsorption Properties","Inorganic Chemistry","2012","51","","5022","5025","10.1021/ic202769e","","","0.71073","MoKα","","0.0627","0.047","","","0.1439","0.1563","","","","","","1.098","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329203","13.253","0.003","17.565","0.003","29.055","0.006","90","","90","","90","","6764","2","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H100 O4 S4 Zr -","- C72 H100 O4 S4 Zr -","- C288 H400 O16 S16 Zr4 -","4","0.5","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.0882","0.0624","","","0.1694","0.1771","","","","","","1.038","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329232","15.3121","0.0008","14.7414","0.0008","18.8009","0.001","90","","90","","90","","4243.8","0.4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C14 H20 Au K N2 O8 Rh2 -","- C14 H20 Au K N2 O8 Rh2 -","- C112 H160 Au8 K8 N16 O64 Rh16 -","8","1","","Pilar Amo-Ochoa; Salomé Delgado; Almudena Gallego; Carlos J. Gómez-García; Reyes Jiménez-Aparicio; Gonzalo Martínez; Josefina Perles; M. Rosario Torres","Structure and Properties of One-Dimensional Heterobimetallic Polymers Containing Dicyanoaurate and Dirhodium(II) Fragments","Inorganic Chemistry","2012","51","","5844","5849","10.1021/ic3004307","","","0.71073","MoKα","","0.0574","0.0292","","","0.0637","0.0845","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329311","22.5438","0.0006","13.4588","0.0005","11.6256","0.0005","90","","90","","90","","3527.4","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Cl12 Co2 O13 -","- C16 H22 Cl12 Co2 O13 -","- C64 H88 Cl48 Co8 O52 -","4","0.5","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.0456","0.0337","","","0.0503","0.0601","","","","","","1.248","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329478","20.4786","0.0019","11.5413","0.0011","17.5033","0.0015","90","","90","","90","","4136.9","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H38 Cl O3 P2 Ru -","- C51 H38 Cl O3 P2 Ru -","- C204 H152 Cl4 O12 P8 Ru4 -","4","0.5","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Nirmal Das Adhikary; Prasanta Ghosh","Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone","Inorganic Chemistry","2012","51","","6687","6699","10.1021/ic300327x","","","0.71073","MoKα","","0.0327","0.0293","","","0.0757","0.08","","","","","","0.926","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329495","15.23","0.003","16.405","0.003","13.939","0.003","90","","90","","90","","3482.6","1.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H22 Co2 N18 -","- C25 H22 Co2 N18 -","- C100 H88 Co8 N72 -","4","0.5","","Fen Yang; Baiyan Li; Wei Xu; Guanghua Li; Qi Zhou; Jia Hua; Zhan Shi; Shouhua Feng","Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","6813","6820","10.1021/ic300546z","","","0.71073","MoKα","","0.0489","0.0351","","","0.082","0.0881","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329818","17.8499","0.0018","13.259","0.0013","11.9339","0.0012","90","","90","","90","","2824.4","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H17 N5 Ni O -","- C12 H17 N5 Ni O -","- C96 H136 N40 Ni8 O8 -","8","1","","Rituparna Biswas; Sandip Mukherjee; Paramita Kar; Ashutosh Ghosh","A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism","Inorganic Chemistry","2012","51","","8150","8160","10.1021/ic300547w","","","0.71073","MoKα","","0.0609","0.037","","","0.086","0.0984","","","","","","1.031","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4330008","25.599","","11.871","","16.507","","90","","90","","90","","5016.24","","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H23 Cl3 N4 O Zn2 -","- C23 H23 Cl3 N4 O Zn2 -","- C184 H184 Cl24 N32 O8 Zn16 -","8","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1136","0.0427","","","0.096","0.1165","","","","","","0.847","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330014","12.2766","0.0015","19.514","0.003","18.05","0.002","90","","90","","90","","4324.2","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl2 N6 O12 Zn2 -","- C34 H44 Cl2 N6 O12 Zn2 -","- C136 H176 Cl8 N24 O48 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0589","0.0419","","","0.1349","0.1512","","","","","","1.12","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330015","12.4183","0.0016","19.863","0.003","18.096","0.002","90","","90","","90","","4463.6","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H50 Cl2 N6 O14 Zn2 -","- C36 H50 Cl2 N6 O14 Zn2 -","- C144 H200 Cl8 N24 O56 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0998","0.0652","","","0.1749","0.1967","","","","","","1.179","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330016","12.2586","0.001","19.7101","0.0016","17.9933","0.0014","90","","90","","90","","4347.5","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 N8 O12 Zn2 -","- C36 H52 N8 O12 Zn2 -","- C144 H208 N32 O48 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0789","0.0529","","","0.1582","0.1844","","","","","","1.199","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330376","19.339","0.0019","9.6895","0.001","7.4978","0.0008","90","","90","","90","","1405","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H16 Au Cl N2 O4 -","- C11 H16 Au Cl N2 O4 -","- C44 H64 Au4 Cl4 N8 O16 -","4","0.5","","Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini","Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes","Inorganic Chemistry","2012","51","","9873","9882","10.1021/ic3013188","","","0.71073","MoKα","","0.0232","0.0188","","","0.05","0.0534","","","","","","1.072","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330393","18.5304","0.0005","8.8733","0.0003","10.0502","0.0003","90","","90","","90","","1652.51","0.09","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H18 Cd Cl2 Na2 O11 P2 -","- C4 H18 Cd Cl2 Na2 O11 P2 -","- C16 H72 Cd4 Cl8 Na8 O44 P8 -","4","0.5","","Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin","Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers","Inorganic Chemistry","2012","51","","9995","10003","10.1021/ic3014283","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0509","0.0522","","","","","","1.041","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330679","18.553","0.0004","8.847","0.0002","16.874","0.0002","90","","90","","90","","2769.67","0.09","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H8 As F20 I O2 -","- C22 H8 As F20 I O2 -","- C88 H32 As4 F80 I4 O8 -","4","0.5","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0744","0.0559","","","0.1541","0.2138","","","","","","1.121","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330688","12.7121","0.0008","28.3291","0.0018","15.4425","0.0009","90","","90","","90","","5561.2","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(Et4N)2[Co(PyN2Me2)2]","","","- C62 H82 Co N8 O4 -","- C62 H62 Co N8 O4 -","- C248 H248 Co4 N32 O16 -","4","0.5","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0929","0.0624","","","0.164","0.1888","","","","","","1.02","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330709","14.5262","0.0015","10.6006","0.0011","12.716","0.0014","90","","90","","90","","1958.1","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H22 N2 O16 Se4 V2 -","- C6 H22 N2 O16 Se4 V2 -","- C24 H88 N8 O64 Se16 V8 -","4","0.5","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0176","0.0163","","0.039","0.0385","0.0381","","","","","","1.0268","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330997","22.058","0.005","8.565","0.005","21.175","0.005","90","","90","","90","","4001","3","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H14 Cl2 N5 O2 Zn1.5 -","- C19 H14 Cl2 N5 O2 Zn1.5 -","- C152 H112 Cl16 N40 O16 Zn12 -","8","1","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","0.71069","MoKα","","0.0543","0.0447","","0.0513","0.0486","0.0482","","","","","","1.0949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331021","13.3306","0.0002","15.9508","0.0002","24.4272","0.0004","90","","90","","90","","5194.05","0.13","290","2","290","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H22 N8 O8.5 Pt Tb -","- C19 H15 N8 O8.5 Pt Tb -","- C152 H120 N64 O68 Pt8 Tb8 -","8","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0287","0.0211","","","0.0432","0.0442","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331022","13.3631","0.0003","16.0393","0.0002","24.036","0.0005","90","","90","","90","","5151.75","0.17","290","2","290","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C19 H19 Cl N8 O7.5 Pt Tb -","- C19 H14 Cl N8 O7.5 Pt Tb -","- C152 H112 Cl8 N64 O60 Pt8 Tb8 -","8","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0334","0.0229","","","0.0573","0.0591","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331110","10.8066","0.0003","10.6179","0.0003","27.9331","0.0007","90","","90","","90","","3205.14","0.15","90","0.1","90","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu N10 O4 -","- C36 H34 Cu N10 O4 -","- C144 H136 Cu4 N40 O16 -","4","0.5","","Gwendolyn A. Bailey; Eric W. Price; Brian M. Zeglis; Cara L. Ferreira; Eszter Boros; Michael J. Lacasse; Brian O. Patrick; Jason S. Lewis; Michael J. Adam; Chris Orvig","H2azapa: a Versatile Acyclic Multifunctional Chelator for 67Ga, 64Cu, 111In, and 177Lu","Inorganic Chemistry","2012","51","","12575","12589","10.1021/ic302225z","","","0.71073","MoKα","","0.0383","0.0296","","","0.0752","0.0796","","","","","","1.036","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331227","10.879","0.002","20.3","0.004","10.876","0.002","90","","90","","90","","2401.9","0.8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H15 F6 I N2 O6 S2 -","- C18 H15 F6 I N2 O6 S2 -","- C72 H60 F24 I4 N8 O24 S8 -","4","0.5","","Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton","Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling","Inorganic Chemistry","2012","51","","13034","13040","10.1021/ic302176f","","","0.71073","MoKα","","0.0338","0.03","","","0.0617","0.0633","","","","","","1.162","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331284","13.2561","0.0013","36.709","0.004","17.7651","0.0017","90","","90","","90","","8644.8","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H122 K N4 Ni2 O8 -","- C72 H122 K N4 Ni2 O8 -","- C288 H488 K4 N16 Ni8 O32 -","4","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1167","0.0756","","","0.1973","0.2168","","","","","","1.126","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331382","13.5298","0.0005","15.8653","0.0007","13.5839","0.0005","90","","90","","90","","2915.8","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 F6 Lu N6 O6 P -","- C24 H36 F6 Lu N6 O6 P -","- C96 H144 F24 Lu4 N24 O24 P4 -","4","0.5","","Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias","Solution Structure of Ln(III) Complexes with Macrocyclic Ligands Through Theoretical Evaluation of 1H NMR Contact Shifts","Inorganic Chemistry","2012","51","","13419","13429","10.1021/ic302322r","","x-ray","0.71073","MoKα","","0.0354","0.0211","","","0.0403","0.0447","","","","","","1.033","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331383","13.5742","0.0006","15.9896","0.0008","13.6143","0.0006","90","","90","","90","","2954.9","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Eu F6 N6 O6 P -","- C24 H36 Eu F6 N6 O6 P -","- C96 H144 Eu4 F24 N24 O24 P4 -","4","0.5","","Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias","Solution Structure of Ln(III) Complexes with Macrocyclic Ligands Through Theoretical Evaluation of 1H NMR Contact Shifts","Inorganic Chemistry","2012","51","","13419","13429","10.1021/ic302322r","","x-ray","0.71073","MoKα","","0.0372","0.0224","","","0.0438","0.0486","","","","","","1.038","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331505","18.3046","0.0017","17.2195","0.0016","18.175","0.0017","90","","90","","90","","5728.7","0.9","163","2","163","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H43 O Sm Te -","- C30 H43 O Sm Te -","- C240 H344 O8 Sm8 Te8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.032","0.0184","","","0.038","0.0442","","","","","","1.108","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331555","15.3095","0.0008","30.0215","0.0017","16.7395","0.0009","90","","90","","90","","7693.7","0.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H14 Cu F24 O4.5 Tl2 -","- C34 H12 Cu F24 O4.5 Tl2 -","- C272 H96 Cu8 F192 O36 Tl16 -","8","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0743","0.0464","","","0.0967","0.1064","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331556","15.627","0.003","18.813","0.003","15.799","0.003","90","","90","","90","","4644.8","1.5","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H14 Cu0.5 F12 O3 Tl -","- C20 H14 Cu0.5 F12.132 O3 Tl -","- C160 H112 Cu4 F97.056 O24 Tl8 -","8","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0978","0.0568","","","0.1247","0.1436","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331636","14.7122","0.0006","23.2371","0.0006","18.0126","0.0006","90","","90","","90","","6157.9","0.4","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H58 Mo N6 O P4 -","- C67 H58 Mo N6 O P4 -","- C268 H232 Mo4 N24 O4 P16 -","4","0.5","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.0392","","","","0.1152","","","","","","1.08","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331640","15.252","0.002","15.419","0.003","14.605","0.003","90","","90","","90","","3434.7","1.1","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H22.5 Cl1.5 N4 O6.5 Zn -","- C12 H22.5 Cl1.5 N4 O6.5 Zn -","- C96 H180 Cl12 N32 O52 Zn8 -","8","1","","Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia","Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions","Inorganic Chemistry","2006","45","1","304","314","10.1021/ic051304v","","","0.7107","MoKα","","0.2095","0.0896","","","0.1093","0.1415","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331733","17.893","0.005","9.44","0.002","18.631","0.005","90","","90","","90","","3147","1.4","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,3-(i-PrS)2C6H3NHCON3","","- C13 H18 N4 O S2 -","- C13 H18 N4 O S2 -","- C104 H144 N32 O8 S16 -","8","1","","Taka-aki Okamura; Yasuhito Ushijima; Yui Omi; Kiyotaka Onitsuka","Systematic Investigation of Relationship between Strength of NH...S Hydrogen Bond and Reactivity of Molybdoenzyme Models","Inorganic Chemistry","2013","52","","381","394","10.1021/ic302149p","","","0.71075","MoKα","","0.0714","0.0497","","","0.1266","0.1399","","","","","","1.07","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331746","20.8194","0.0005","7.8416","0.0002","13.0646","0.0003","90","","90","","90","","2132.89","0.09","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H6 O8 S U -","- C7 H6 O8 S U -","- C56 H48 O64 S8 U8 -","8","1","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0392","0.0261","","","0.0598","0.0635","","","","","","0.98","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4332038","17.911","0.005","15.804","0.005","6.6538","0.0018","90","","90","","90","","1883.5","0.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Mn N12 -","- C18 H12 Mn N12 -","- C72 H48 Mn4 N48 -","4","0.5","","Das, Anamika; Rosair, Georgina M.; El Fallah, M. Salah; Ribas, Joan; Mitra, Samiran","Weak Metamagnetic-like 1D Manganese(II) Complex with a Double μ1,1-Azido Bridge: A Structure and Magnetic Study","Inorganic Chemistry","2006","45","8","3301","3306","10.1021/ic052088t","","","0.71073","MoKα","","0.0848","0.0429","","","0.0943","0.1011","","","","","","0.952","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4332199","19.529","0.004","14.994","0.003","22.238","0.004","90","","90","","90","","6512","2","193","2","193","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H23 Br2 Cu3 N2 O S3 W -","- C24 H23 Br2 Cu3 N2 O S3 W -","- C192 H184 Br16 Cu24 N16 O8 S24 W8 -","8","1","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.1418","0.1237","","","0.2353","0.2444","","","","","","1.292","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332502","10.0554","0.0001","18.623","0.0003","20.5137","0.0003","90","","90","","90","","3841.43","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H24 B F3 Fe0.5 N6 P0.5 -","- C16 H24 B F3 Fe0.5 N6 P0.5 -","- C128 H192 B8 F24 Fe4 N48 P4 -","8","1","","Graziani, Olivier; Hamon, Paul; Thépot, Jean-Yves; Toupet, Loïc; Szilágyi, Petra Á.; Molnár, Gábor; Bousseksou, Azzedine; Tilset, Mats; Hamon, Jean-René","Noveltert-Butyl-tris(3-hydrocarbylpyrazol-1-yl)borate Ligands: Synthesis, Spectroscopic Studies, and Coordination Chemistry#","Inorganic Chemistry","2006","45","14","5661","5674","10.1021/ic060458n","","","0.71069","MoKα","","0.0751","0.0549","","","0.1629","0.1828","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332528","15.869","0.008","7.4583","0.0012","17.177","0.007","90","","90","","90","","2033","1.4","295","2","295","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C2 H11 Cl Hg N Na O3 S -","- C2 H6 Cl Hg N Na O3 S -","- C16 H48 Cl8 Hg8 N8 Na8 O24 S8 -","8","1","","Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter","Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg)","Inorganic Chemistry","2006","45","20","8318","8325","10.1021/ic0604765","","","0.71069","MoKα","","0.1708","0.0638","","","0.1481","0.2042","","","","","","0.998","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332612","12.7611","0.0008","16.2554","0.0012","15.6322","0.0011","90","","90","","90","","3242.7","0.4","110","","110","2","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C14 H34 Mo8 N4 O27 -","- C14 H34 Mo8 N4 O27 -","- C56 H136 Mo32 N16 O108 -","4","0.5","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0348","0.021","","0.044","0.0426","0.0426","","","","","","0.8332","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332620","12.3074","0.0015","14.3586","0.0017","6.8007","0.0009","90","","90","","90","","1201.8","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br Cu N3 O2 -","- C12 H8 Br Cu N3 O2 -","- C48 H32 Br4 Cu4 N12 O8 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.073","0.0428","","","0.1113","0.1302","","","","","","1.067","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332621","12.473","0.0011","14.4913","0.0013","6.9476","0.0006","90","","90","","90","","1255.78","0.19","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu I N3 O2 -","- C12 H8 Cu I N3 O2 -","- C48 H32 Cu4 I4 N12 O8 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.0432","0.0358","","","0.0773","0.0811","","","","","","1.194","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332808","33.46","0.007","17.535","0.004","24.043","0.005","90","","90","","90","","14107","5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C145 H126 Cl10 O17 P4 S4 -","- C145 H126 Cl10 O17 P4 S4 -","- C580 H504 Cl40 O68 P16 S16 -","4","0.5","","Eisler, Dana J.; Puddephatt, Richard J.","Structure and Dynamics of Tetrakis(thiophosphinato)resorcinarene Complexes of Silver(I), Gold(I), and Palladium(II)","Inorganic Chemistry","2006","45","18","7295","7305","10.1021/ic060865z","","","0.71073","MoKα","","0.1306","0.0722","","","0.2116","0.2447","","","","","","1.07","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332893","12.8","0.002","19.804","0.004","7.66","0.003","90","","90","","90","","1941.7","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 Cu N2 O5 -","- C20 H24 Cu N2 O5 -","- C80 H96 Cu4 N8 O20 -","4","0.5","","Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar","Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water","Inorganic Chemistry","2006","45","26","10764","10773","10.1021/ic061049u","","","0.71073","MoKα","","0.0639","0.0424","","","0.106","0.118","","","","","","1.052","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332926","20.4465","0.0015","11.381","0.0016","20.2634","0.0015","90","","90","","90","","4715.3","0.8","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dimethoxo-dioxo-m-oxo[1,3-dimethyl-p-tert-butyl-calix[4] aren-dihydroxylato]divanadium(V)","","- C48 H64 O9 V2 -","- C48 H64 O9 V2 -","- C192 H256 O36 V8 -","4","0.5","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.0938","0.0438","","","0.0933","0.1058","","","","","","0.831","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4333021","39.752","0.004","11.0636","0.0012","19.758","0.002","90","","90","","90","","8689.6","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H77 Cl3 Ir N Os2 -","- C45 H41 Cl3 Ir N Os2 -","- C360 H328 Cl24 Ir8 N8 Os16 -","8","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0871","0.0542","","","0.1155","0.1245","","","","","","1.028","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333483","27.172","0.018","12.563","0.008","33.7","0.02","90","","90","","90","","11504","13","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Ga/AgPF~6~-1d","","","- C42 H30 Ag F6 Ga N9 P -","- C42 H30 Ag F6 Ga N9 P -","- C336 H240 Ag8 F48 Ga8 N72 P8 -","8","1","","Stork, Jay R.; Thoi, Van S.; Cohen, Seth M.","Rare Examples of Transition-Metal−Main-Group Metal Heterometallic Metal−Organic Frameworks from Gallium and Indium Dipyrrinato Complexes and Silver Salts: Synthesis and Framework Variability","Inorganic Chemistry","2007","46","26","11213","11223","10.1021/ic7016159","","","0.71073","MoKα","","0.1084","0.0713","","","0.1875","0.2013","","","","","","0.977","","","","has coordinates,has disorder","179437","2020-10-21","18:00:00",""
"4333486","27.062","0.007","13.006","0.003","33.486","0.008","90","","90","","90","","11786","5","208","2","208","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgPF~6~-1b","","","- C42 H30 Ag Co F6 N9 P -","- C42 H30 Ag Co F6 N9 P -","- C336 H240 Ag8 Co8 F48 N72 P8 -","8","1","","Stork, Jay R.; Thoi, Van S.; Cohen, Seth M.","Rare Examples of Transition-Metal−Main-Group Metal Heterometallic Metal−Organic Frameworks from Gallium and Indium Dipyrrinato Complexes and Silver Salts: Synthesis and Framework Variability","Inorganic Chemistry","2007","46","26","11213","11223","10.1021/ic7016159","","","0.71073","MoKα","","0.1259","0.0801","","","0.2163","0.2387","","","","","","0.894","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333510","8.1713","0.0003","20.2209","0.0007","27.2425","0.0009","90","","90","","90","","4501.3","0.3","223","2","223","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cd Fe I2 O4 P Se -","- C13 H19 Cd Fe I2 O4 P Se -","- C104 H152 Cd8 Fe8 I16 O32 P8 Se8 -","8","1","","Sarkar, Bijay; Wen, Sung-Yin; Wang, Jyun-Hua; Chiou, Ling-Song; Liao, Ping-Kuei; Santra, Bidyut Kumar; Wang, Ju-Chun; Liu, C. W.","Conjugate Base of a Secondary Phosphine Selenide [P(Se)(O^i^Pr)~2~]^-^ as the Bridging Unit for the Construction of Heterometallic Fe(II)‒Hg(II)/Cd(II) Complexes","Inorganic Chemistry","2009","48","12","5129","5140","10.1021/ic8024556","","","0.71073","MoKα","","0.0579","0.036","","","0.0756","0.083","","","","","","1.06","","","","has coordinates","210030","2020-10-21","18:00:00",""
"4333802","8.436","0.005","7.843","0.005","23.14","0.014","90","","90","","90","","1531","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 As2 N2 O9 -","- C12 H10 As2 N2 O9 -","- C48 H40 As8 N8 O36 -","4","0.5","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.041","0.0349","","","0.0835","0.087","","","","","","1.045","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4334024","14.3695","0.0012","11.891","0.0011","18.1768","0.0015","90","","90","","90","","3105.8","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 Cr N2 O4 -","- C32 H46 Cr N2 O4 -","- C128 H184 Cr4 N8 O16 -","4","0.5","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.0427","0.0349","","","0.0894","0.0941","","","","","","1.022","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334136","27.8782","0.001","15.4505","0.0006","26.3093","0.0012","90","","90","","90","","11332.3","0.8","120","","120","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H90 Cl Co N3 O2.5 P3 Zr -","- C52 H90 Cl Co N3 O2.5 P3 Zr -","- C416 H720 Cl8 Co8 N24 O20 P24 Zr8 -","8","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0708","0.0382","","0.0805","0.0745","0.0805","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334824","20.8464","0.0005","8.4305","0.0002","17.6443","0.0004","90","","90","","90","","3100.91","0.13","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Cl2 Cu N4 O9 -","- C28 H30 Cl2 Cu N4 O9 -","- C112 H120 Cl8 Cu4 N16 O36 -","4","0.5","","Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron","Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions","Inorganic Chemistry","2013","52","","5824","5830","10.1021/ic3027545","","x-ray","0.71073","MoKα","","0.1155","0.0608","","","0.1771","0.2313","","","","","","1.065","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334858","19.4937","0.0006","7.9695","0.0003","21.0687","0.0007","90","","90","","90","","3273.13","0.19","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H50 Fe N4 -","- C32 H50 Fe N4 -","- C128 H200 Fe4 N16 -","4","0.5","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.0379","0.0322","","","0.0889","0.0962","","","","","","1.079","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334890","19.5419","0.0011","13.6526","0.0009","19.4728","0.0014","90","","90","","90","","5195.3","0.6","173","","173","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H23 Cu F6 N4 O3 P S -","- C21 H23 Cu F6 N4 O3 P S -","- C168 H184 Cu8 F48 N32 O24 P8 S8 -","8","1","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.067","","","","0.2134","","","","","","1.118","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335132","31.365","0.003","30.63","0.003","28.328","0.003","90","","90","","90","","27215","5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C180 As31 O121 U12 -","- C180 As31 O121 U12 -","- C720 As124 O484 U48 -","4","0.5","","Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl Arsonate Coordination Nanocages","Inorganic Chemistry","2013","52","","6245","6247","10.1021/ic400827h","","","0.71073","MoKα","","0.2843","0.1105","","","0.2845","0.3716","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335552","34.516","0.005","9.1596","0.0014","21.727","0.004","90","","90","","90","","6869.1","1.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H29 Mn N10 O5.5 W -","- C34 H26 Mn N10 O5.5 W -","- C272 H208 Mn8 N80 O44 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.124","0.0461","","","0.0724","0.0921","","","","","","0.98","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4335553","35.34","0.03","9.224","0.009","21.82","0.02","90","","90","","90","","7113","11","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H32 Mn N10 O6 W -","- C35 H28 Mn N10 O6 W -","- C280 H224 Mn8 N80 O48 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.1319","0.0689","","","0.1461","0.1705","","","","","","1.016","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335817","7.8382","0.0003","22.5797","0.0008","20.4029","0.0007","90","","90","","90","","3611","0.2","120","2","393","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H31 Cl2 Ir N2 O2 -","- C48 H31 Cl2 Ir N2 O2 -","- C192 H124 Cl8 Ir4 N8 O8 -","4","0.5","","Robert M. Edkins; Katharina Fucke; Michael J. G. Peach; Andrew G. Crawford; Todd B. Marder; Andrew Beeby","Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2'-pyridyl)pyrene Ligands","Inorganic Chemistry","2013","52","","9842","9860","10.1021/ic400819f","","","0.71073","MoKα","","0.0723","0.0379","","","0.0776","0.0894","","","","","","1.028","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335868","26.6207","0.001","25.833","0.001","9.0398","0.0004","90","","90","","90","","6216.6","0.4","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18.67 H17.33 Mn0.67 N1.33 O5.67 S1.33 -","- C18.6667 H17.3333 Mn0.666667 N1.33333 O5.698 S1.33333 -","- C224 H208 Mn8 N16 O68.376 S16 -","12","1.5","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.0999","0.0706","","","0.1718","0.1862","","","","","","1.11","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335909","30.905","0.0005","15.0495","0.0002","13.8112","0.0002","90","","90","","90","","6423.66","0.16","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H26 Hg2 I5 K O4 S -","- C22 H26 Hg2 I5 K O4 S -","- C176 H208 Hg16 I40 K8 O32 S8 -","8","1","","Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee","Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network","Inorganic Chemistry","2013","52","","10176","10182","10.1021/ic401648b","","","0.71073","MoKα","","0.0485","0.0334","","","0.0683","0.0739","","","","","","1.05","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4336138","10.0683","0.0008","17.6247","0.0011","23.0699","0.0016","90","","90","","90","","4093.8","0.5","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Mg{OCO-2,6-(n-BuCONH)2C6H3}2(H2O)2(CH3OH)2]","","- C36 H58 Mg N4 O12 -","- C36 H58 Mg N4 O12 -","- C144 H232 Mg4 N16 O48 -","4","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.1145","0.0679","","","0.1666","0.1989","","","","","","1.077","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336141","14.2809","0.0003","8.1483","0.0002","31.1999","0.0007","90","","90","","90","","3630.58","0.14","100","1","100","1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H58 B4 Cl4 F4 N8 O5 Zn2 -","- C80 H58 B4 Cl4 F4 N8 O5 Zn2 -","- C160 H116 B8 Cl8 F8 N16 O10 Zn4 -","2","0.25","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","x-ray","0.71073","MoKα","","0.0788","0.0473","","","0.0919","0.1021","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336168","13.0982","0.0012","21.3621","0.0019","11.9411","0.001","90","","90","","90","","3341.2","0.5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H33 O6 Ru -","- C39 H33 O6 Ru -","- C156 H132 O24 Ru4 -","4","0.5","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0565","0.0302","","","","0.1063","","","","","","1.156","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336274","41.905","0.01","9.3403","0.0016","21.16","0.004","90","","90","","90","","8282","3","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H44 B Fe O5 P3 -","- C46 H44 B Fe O5 P3 -","- C368 H352 B8 Fe8 O40 P24 -","8","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0882","0.0459","","","0.0975","0.1141","","","","","","1.009","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336405","12.3752","0.0017","26.152","0.003","15.698","0.003","90","","90","","90","","5080.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H14 Ce6 N12 O54 -","- C10 H14 Ce6 N12 O54 -","- C40 H56 Ce24 N48 O216 -","4","0.5","","Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost","Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes","Inorganic Chemistry","2013","52","","11734","11743","10.1021/ic400999j","","","0.71073","MoKα","","0.0427","0.0347","","","0.1049","0.1116","","","","","","1.291","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336477","20.0837","0.0006","24.4373","0.0007","24.7392","0.0008","90","","90","","90","","12141.8","0.6","180","","180","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H56 B Cu F4 O2 P4 -","- C72 H56 B Cu F4 O2 P4 -","- C576 H448 B8 Cu8 F32 O16 P32 -","8","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.1299","0.0679","","0.1085","0.0761","0.0761","","","","","","1.1238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336482","13.5395","0.0003","11.1656","0.0003","17.7402","0.0004","90","","90","","90","","2681.9","0.11","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H44 Co N2 O Si4 -","- C16 H44 Co N2 O Si4 -","- C64 H176 Co4 N8 O4 Si16 -","4","0.5","","Aimee M. Bryan; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Spectroscopic Characterization, and Determination of the Solution Association Energy of the Dimer [Co{N(SiMe3)2}2]2: Magnetic Studies of Low-Coordinate Co(II) Silylamides [Co{N(SiMe3)2}2L] (L = PMe3, Pyridine, and THF) and Related Species That Reveal Evidence of Very Large Zero-Field Splittings","Inorganic Chemistry","2013","52","","12152","12160","10.1021/ic402019w","","","0.71073","MoKα","","0.0402","0.0322","","","0.0845","0.0917","","","","","","1.058","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336711","22.6908","0.001","12.971","0.0006","22.7828","0.001","90","","90","","90","","6705.5","0.5","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H32 N6 Ni O3 -","- C42 H32 N6 Ni O3 -","- C336 H256 N48 Ni8 O24 -","8","1","","Natasha Van Damme; Alan J. Lough; Serge I. Gorelsky; Martin T. Lemaire","Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand","Inorganic Chemistry","2013","52","","13021","13028","10.1021/ic401618u","","","1.54178","CuKα","","0.0876","0.0526","","","0.134","0.1532","","","","","","1.032","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336763","9.3125","0.0001","15.0076","0.0002","13.4349","0.0002","90","","90","","90","","1877.64","0.04","123","1","123","1","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C15 H15 Br3 In N3 -","- C15 H15 Br3 In N3 -","- C60 H60 Br12 In4 N12 -","4","0.5","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","x-ray","1.54178","CuKα","","0.0171","0.0166","","","0.0435","0.0439","","","","","","0.95","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336818","14.8537","0.001","19.568","0.0013","12.1682","0.0008","90","","90","","90","","3536.8","0.4","305","2","305","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Chunyan Wang; Keith Man-Chung Wong","Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes","Inorganic Chemistry","2013","52","","13432","13441","10.1021/ic401810x","","","0.71073","MoKα","","0.1084","0.0596","","","0.1472","0.1759","","","","","","1.015","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4337111","8.5217","0.0013","21.116","0.003","17.248","0.003","90","","90","","90","","3103.7","0.8","123","2","123","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","","Zeng, Dai; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Tuning the Coordination Geometries and Magnetic Dynamics of [Ln(hfac)4](-) through Alkali Metal Counterions.","Inorganic chemistry","2014","53","2","795","801","10.1021/ic402111v","","","0.71073","MoKα","","0.0384","0.0338","","","0.1209","0.1295","","","","","","1.038","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337112","8.5259","0.0008","21.272","0.002","17.2044","0.0016","90","","90","","90","","3120.2","0.5","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Dy F24 O8 -","- C20 H4 Cs Dy F24 O8 -","- C80 H16 Cs4 Dy4 F96 O32 -","4","0.5","","Zeng, Dai; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Tuning the Coordination Geometries and Magnetic Dynamics of [Ln(hfac)4](-) through Alkali Metal Counterions.","Inorganic chemistry","2014","53","2","795","801","10.1021/ic402111v","","","0.71073","MoKα","","0.0365","0.0333","","","0.1151","0.1194","","","","","","1.083","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337242","12.841","0.003","17.827","0.004","18.182","0.004","90","","90","","90","","4162.2","1.6","100","2","100","2","","","","","","","tetrahydrofuran","6","P b c n","-P 2n 2ab","60","","","","- C46 H56 Li Mn N6 O4 -","- C46 H56 Li Mn N6 O4 -","- C184 H224 Li4 Mn4 N24 O16 -","4","0.5","","Wang, Mei; England, Jason; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of the Members of the Electron Transfer Series [Mn(bpy)3](n) (n = 2+, 1+, 0, 1-) and [Mn(tpy)2](m) (m = 4+, 3+, 2+, 1+, 0). An Experimental and Density Functional Theory Study.","Inorganic chemistry","2014","53","4","2276","2287","10.1021/ic4029854","","","0.71073","MoKα","","0.0662","0.0409","","","0.0906","0.1027","","","","","","1.028","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337251","13.609","0.003","11.165","0.002","17.819","0.004","90","","90","","90","","2707.5","1","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H44 Co N2 O Si4 -","- C16 H44 Co N2 O Si4 -","- C64 H176 Co4 N8 O4 Si16 -","4","0.5","","Eichhöfer, Andreas; Lan, Yanhua; Mereacre, Valeriu; Bodenstein, Tilmann; Weigend, Florian","Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study.","Inorganic chemistry","2014","53","4","1962","1974","10.1021/ic401677j","","","0.71073","MoKα","","0.0551","0.0376","","","0.0996","0.1086","","","","","","1.019","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337443","14.5603","0.0003","15.4333","0.0003","15.0431","0.0003","90","","90","","90","","3380.39","0.12","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H22 F12 Fe N6 O4 P2 -","- C34 H22 F12 Fe N6 O4 P2 -","- C136 H88 F48 Fe4 N24 O16 P8 -","4","0.5","","Jamula, Lindsey L.; Brown, Allison M.; Guo, Dong; McCusker, James K.","Synthesis and characterization of a high-symmetry ferrous polypyridyl complex: approaching the 5T2/3T1 crossing point for Fe(II.).","Inorganic chemistry","2014","53","1","15","17","10.1021/ic402407k","","","0.71073","MoKα","","0.0546","0.0474","","","0.1251","0.133","","","","","","1.054","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337468","23.9781","0.0016","11.5551","0.0008","19.5801","0.0013","90","","90","","90","","5425","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H62 B2 F8 Fe N14 O -","- C51 H62 B2 F8 Fe N14 O -","- C204 H248 B8 F32 Fe4 N56 O4 -","4","0.5","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0776","0.0652","","","0.1622","0.1737","","","","","","1.057","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337527","11.9876","0.0005","6.7669","0.0003","14.1792","0.0007","90","","90","","90","","1150.2","0.09","100","2","100","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 F5 N2 Nb O -","- C10 H10 F5 N2 Nb O -","- C40 H40 F20 N8 Nb4 O4 -","4","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.","From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.","Inorganic chemistry","2014","53","1","537","542","10.1021/ic402561g","","x-ray","0.71069","MoKα","","0.0206","0.0195","","","0.0512","0.0519","","","","","","1.019","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337534","16.6627","0.0016","20.8999","0.0019","25.771","0.002","90","","90","","90","","8974.7","1.4","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H130 N2 O8 Yb2 -","- C91 H106 N2 O8 Yb2 -","- C364 H424 N8 O32 Yb8 -","4","0.5","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0995","0.0787","","","0.1432","0.156","","","","","","1.157","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337757","13.7287","0.0017","12.9878","0.0016","14.8038","0.0019","90","","90","","90","","2639.6","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H21 N7 O2 U -","- C29 H21 N7 O2 U -","- C116 H84 N28 O8 U4 -","4","0.5","","Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.","Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.","Inorganic chemistry","2014","53","5","2506","2515","10.1021/ic4026359","","","0.7749","synchrotron","","0.0617","0.027","","","0.0506","0.0585","","","","","","1.049","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337900","24.9726","0.001","16.6486","0.0004","16.1717","0.0006","90","","90","","90","","6723.5","0.4","173","2","173","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C26 H40 Al Bi Cl4 N2 Si -","- C26 H40 Al Bi Cl4 N2 Si -","- C208 H320 Al8 Bi8 Cl32 N16 Si8 -","8","1","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","x-ray","0.71073","MoKα","","0.1307","0.0767","","","0.1631","0.1886","","","","","","1.018","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4338027","23.507","0.005","12.84","0.003","15.962","0.003","90","","90","","90","","4817.8","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Fe2 N14 O4 -","- C18 H18 Fe2 N14 O4 -","- C144 H144 Fe16 N112 O32 -","8","1","","Xu, Zhouqing; Meng, Wei; Li, Huijun; Hou, Hongwei; Fan, Yaoting","Guest Molecule Release Triggers Changes in the Catalytic and Magnetic Properties of a Fe(II)-Based 3D Metal-Organic Framework.","Inorganic chemistry","2014","53","7","3260","","10.1021/ic500004s","","","0.71073","MoKα","","0.0517","0.0491","","","0.1279","0.1299","","","","","","1.146","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338028","22.696","0.005","12.696","0.003","16.126","0.003","90","","90","","90","","4646.7","1.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H16 Fe2 N14 O3 -","- C18 H16 Fe2 N14 O3 -","- C144 H128 Fe16 N112 O24 -","8","1","","Xu, Zhouqing; Meng, Wei; Li, Huijun; Hou, Hongwei; Fan, Yaoting","Guest Molecule Release Triggers Changes in the Catalytic and Magnetic Properties of a Fe(II)-Based 3D Metal-Organic Framework.","Inorganic chemistry","2014","53","7","3260","","10.1021/ic500004s","","","0.71073","MoKα","","0.0716","0.0635","","","0.1384","0.1432","","","","","","1.186","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338715","24.0666","0.0007","8.7167","0.0004","17.261","0.0007","90","","90","","90","","3621","0.2","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Cd2 N8 O12 S4 -","- C30 H26 Cd2 N8 O12 S4 -","- C120 H104 Cd8 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","1.54184","CuKα","","0.0781","0.0626","","","0.1627","0.1765","","","","","","1.042","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338716","23.8663","0.0009","8.9741","0.0006","16.8848","0.0007","90","","90","","90","","3616.4","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Hg2 N8 O12 S4 -","- C30 H26 Hg2 N8 O12 S4 -","- C120 H104 Hg8 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","1.54178","CuKα","","0.1213","0.1029","","","0.2353","0.2458","","","","","","1.642","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338809","26.4765","0.0015","17.9487","0.001","16.7544","0.0009","90","","90","","90","","7962","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C78 H126 K2 N4 Ni2 O S2 -","- C78 H126 K2 N4 Ni2 O S2 -","- C312 H504 K8 N16 Ni8 O4 S8 -","4","0.5","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","1.54178","CuKα","","0.0542","0.0355","","","0.0837","0.0925","","","","","","1.01","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338847","16.054","0.005","8.947","0.003","15.282","0.005","90","","90","","90","","2195","1.2","110","","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H14 N2 Ni O2 S2 -","- C9 H14 N2 Ni O2 S2 -","- C72 H112 N16 Ni8 O16 S16 -","8","1","","Green, Kayla N.; Brothers, Scott M.; Jenkins, Roxanne M.; Carson, Cody E.; Grapperhaus, Craig A.; Darensbourg, Marcetta Y.","An experimental and computational study of sulfur-modified nucleophilicity in a dianionic NiN2S2 complex.","Inorganic chemistry","2007","46","18","7536","7544","10.1021/ic700878y","","","0.71073","MoKα","","0.0301","0.0246","","","0.0601","0.0619","","","","","","0.97","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338897","8.1348","0.0002","16.9495","0.0005","19.2166","0.0009","90","","90","","90","","2649.6","0.16","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H22 I3 N2 Ti -","- C28 H22 I3 N2 Ti -","- C112 H88 I12 N8 Ti4 -","4","0.5","","Piglosiewicz, Ingmar M.; Beckhaus, Rüdiger; Wittstock, Gunther; Saak, Wolfgang; Haase, Detlef","Selective oxidation and reduction of trinuclear titanium(II) hexaazatrinaphthylene complexes-synthesis, structure, and electrochemical investigations.","Inorganic chemistry","2007","46","18","7610","7620","10.1021/ic701009u","","","0.71073","MoKα","","0.0298","0.0179","","","0.0373","0.0391","","","","","","0.897","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338908","21.472","0.005","8.542","0.002","18.807","0.005","90","","90","","90","","3449.5","1.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H19 N3 O5 Zn -","- C16 H19 N3 O5 Zn -","- C128 H152 N24 O40 Zn8 -","8","1","","Montney, Matthew R.; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.","Diverse entangled metal-organic framework materials incorporating kinked organodiimine and flexible aliphatic dicarboxylate ligands: synthesis, structure, physical properties, and reversible structural reorganization.","Inorganic chemistry","2007","46","18","7362","7370","10.1021/ic070291d","","","0.71073","MoKα","","0.0792","0.0406","","","0.0883","0.1034","","","","","","1.018","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339180","24.344","0.004","10.6717","0.0016","25.978","0.004","90","","90","","90","","6748.9","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H76 Cl5 Fe3 N22 O13 -","- C42 H76 Cl5 Fe3 N22 O13 -","- C168 H304 Cl20 Fe12 N88 O52 -","4","0.5","","Piñero, Dalice; Baran, Peter; Boca, Roman; Herchel, Radovan; Klein, Michael; Raptis, Raphael G.; Renz, Franz; Sanakis, Yiannis","A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study.","Inorganic chemistry","2007","46","26","10981","10989","10.1021/ic0701460","","","0.71073","MoKα","","0.0927","0.0497","","","0.1183","0.1382","","","","","","1.003","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339213","20.187","0.005","24.542","0.005","24.756","0.004","90","","90","","90","","12265","4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H56 B Cu F4 O3 P4 -","- C72 H56 B Cu F4 O3 P4 -","- C576 H448 B8 Cu8 F32 O24 P32 -","8","1","","Venkateswaran, Ramalingam; Balakrishna, Maravanji S.; Mobin, Shaikh M.; Tuononen, Heikki M.","Copper(I) complexes of bis(2-(diphenylphosphino)phenyl) ether: synthesis, reactivity, and theoretical calculations.","Inorganic chemistry","2007","46","16","6535","6541","10.1021/ic7005474","","","0.71073","MoKα","","0.1621","0.058","","","0.1245","0.1508","","","","","","0.776","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339215","20.1286","0.0016","24.5174","0.0017","24.833","0.003","90","","90","","90","","12255","2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H56 B Cu F4 O2 P4 -","- C72 H56 B Cu F4 O2 P4 -","- C576 H448 B8 Cu8 F32 O16 P32 -","8","1","","Venkateswaran, Ramalingam; Balakrishna, Maravanji S.; Mobin, Shaikh M.; Tuononen, Heikki M.","Copper(I) complexes of bis(2-(diphenylphosphino)phenyl) ether: synthesis, reactivity, and theoretical calculations.","Inorganic chemistry","2007","46","16","6535","6541","10.1021/ic7005474","","","0.71073","MoKα","","0.0666","0.0489","","","0.141","0.1502","","","","","","1.089","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339706","46.001","0.009","16.707","0.003","19.466","0.004","90","","90","","90","","14960","5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C81 H104 Al3 N7 -","- C81 H104 Al3 N7 -","- C648 H832 Al24 N56 -","8","1","","Löbl, Jiri; Timoshkin, Alexey Y.; Cong, Trinh; Necas, Marek; Roesky, Herbert W.; Pinkas, Jiri","Alumazene adducts with pyridines: synthesis, structure, and stability studies.","Inorganic chemistry","2007","46","14","5678","5685","10.1021/ic700488p","","","0.71073","MoKα","","0.1644","0.083","","","0.1917","0.2312","","","","","","1.142","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339795","26.105","0.005","12.446","0.003","24.267","0.005","90","","90","","90","","7884","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H112 Al2 N2 O6 -","- C86 H112 Al2 N2 O6 -","- C344 H448 Al8 N8 O24 -","4","0.5","","Su, Weiping; Kobayashi, Junji; Ellern, Arkady; Kawashima, Takayuki; Verkade, John G.","Steric stabilization of a monomeric proalumatrane: experimental and theoretical studies.","Inorganic chemistry","2007","46","19","7953","7959","10.1021/ic7010327","","","0.71073","MoKα","","0.1247","0.0924","","","0.2529","0.2753","","","","","","1.041","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339815","10.2304","0.0003","11.0782","0.0003","18.7722","0.0005","90","","90","","90","","2127.54","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H30 N2 Ni O2 -","- C24 H30 N2 Ni O2 -","- C96 H120 N8 Ni4 O8 -","4","0.5","","Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl","The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt.","Inorganic chemistry","2007","46","19","7880","7889","10.1021/ic7008094","","","0.71073","MoKα","","0.0446","0.035","","","0.0784","0.0824","","","","","","1.084","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339817","10.3003","0.0005","11.1678","0.0005","18.7003","0.0007","90","","90","","90","","2151.13","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H30 Co N2 O2 -","- C24 H30 Co N2 O2 -","- C96 H120 Co4 N8 O8 -","4","0.5","","Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl","The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt.","Inorganic chemistry","2007","46","19","7880","7889","10.1021/ic7008094","","","0.71073","MoKα","","0.0565","0.0372","","","0.0805","0.0877","","","","","","1.061","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4340042","29.0611","0.0005","20.9836","0.0004","31.5583","0.0006","90","","90","","90","","19244.5","0.6","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C176 H218 N O61 Tb9 -","- C176 H218 N O61 Tb9 -","- C704 H872 N4 O244 Tb36 -","4","0.5","","Nakanishi, Takayuki; Suzuki, Yuki; Doi, Yoshihiro; Seki, Tomohiro; Koizumi, Hitoshi; Fushimi, Koji; Fujita, Koji; Hinatsu, Yukio; Ito, Hajime; Tanaka, Katsuhisa; Hasegawa, Yasuchika","Enhancement of Optical Faraday Effect of Nonanuclear Tb(III) Complexes.","Inorganic chemistry","2014","53","14","7635","7641","10.1021/ic5009363","","","0.71075","MoKα","","","0.0693","","","","0.1609","","","","","","1.037","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340054","9.9271","0.0013","13.026","0.0017","21.326","0.003","90","","90","","90","","2757.7","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H32 Cl2 Cu N2 -","- C30 H32 Cl2 Cu N2 -","- C120 H128 Cl8 Cu4 N8 -","4","0.5","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","1.54178","CuKα","","0.1236","0.073","","","0.1927","0.2223","","","","","","0.863","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340168","14.981","0.007","16.995","0.004","20.765","0.006","90","","90","","90","","5287","3","155.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H75 Cl Cu2 N6 O10 -","- C45 H41 Cl Cu2 N6 O10 -","- C180 H164 Cl4 Cu8 N24 O40 -","4","0.5","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0777","","","","0.1608","","","","","","2.343","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340248","7.6069","0.0007","16.3204","0.0015","16.6671","0.0015","90","","90","","90","","2069.2","0.3","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","W(Hhpp)2(CO)4","Tungsten(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)","","- C18 H26 N6 O4 W -","- C18 H26 N6 O4 W -","- C72 H104 N24 O16 W4 -","4","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0233","0.0179","","","0.0441","0.0474","","","","","","1.107","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340253","7.6716","0.0015","16.498","0.003","16.824","0.003","90","","90","","90","","2129.3","0.7","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Mo(Hhpp)2(CO)4","Molybdenum(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)","","- C18 H26 Mo N6 O4 -","- C18 H26 Mo N6 O4 -","- C72 H104 Mo4 N24 O16 -","4","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0921","0.0752","","","0.1424","0.1491","","","","","","1.293","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4341249","14.7786","0.0005","8.6629","0.0003","22.4948","0.0008","90","","90","","90","","2879.91","0.17","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrabutylammonium trans-tetrachlorido-bis(1H-imidazole)osmate(III)","","- C22 H44 Cl4 N5 Os -","- C22 H44 Cl4 N5 Os -","- C88 H176 Cl16 N20 Os4 -","4","0.5","","Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B.","Osmium(III) Analogues of KP1019: Electrochemical and Chemical Synthesis, Spectroscopic Characterization, X-ray Crystallography, Hydrolytic Stability, and Antiproliferative Activity.","Inorganic chemistry","2014","53","20","11130","11139","10.1021/ic501710k","","","0.71073","MoKα","","0.033","0.0219","","","0.0442","0.0481","","","","","","1.066","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341491","8.3377","0.0012","23.532","0.004","21.837","0.003","90","","90","","90","","4284.5","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H54 K2 N2 O12 Se4 -","- C28 H46 K2 N2 O12 Se4 -","- C112 H184 K8 N8 O48 Se16 -","4","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.1389","0.0748","","","0.1995","0.237","","","","","","1.053","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341536","9.1068","0.0018","13.923","0.003","12.75","0.003","90","","90","","90","","1616.6","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Ge2 H12 Mn3 N4 S7 -","- Ge2 H12 Mn3 N4 S7 -","- Ge8 H48 Mn12 N16 S28 -","4","0.5","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","0.71073","MoKα","","0.0282","0.0247","","","0.0513","0.0524","","","","","","1.12","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341626","18.972","0.0007","14.2191","0.0005","14.2316","0.0005","90","","90","","90","","3839.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H18 N O5 Re -","- C19 H18 N O5 Re -","- C152 H144 N8 O40 Re8 -","8","1","","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Solid State Isostructural Behavior and Quantified Limiting Substitution Kinetics in Schiff-Base Bidentate Ligand Complexes fac-[Re(O,N-Bid)(CO)3(MeOH)](n.)","Inorganic chemistry","2014","","","141113130540009","","10.1021/ic5019168","","","0.71073","MoKα","","","0.0318","","","","0.0775","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341752","21.565","0.003","9.4739","0.0013","14.027","0.002","90","","90","","90","","2865.8","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H20 Cu N6 O8 S2 -","- C28 H20 Cu N6 O8 S2 -","- C112 H80 Cu4 N24 O32 S8 -","4","0.5","","Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli","Mixed Ligand Cu(II)N2O2 Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical Calculations.","Inorganic chemistry","2014","","","141203154341001","","10.1021/ic5021548","","","0.71073","MoKα","","0.0295","0.0251","","","0.07","0.0728","","","","","","1.045","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341794","17.774","0.002","26.125","0.004","17.139","0.002","90","","90","","90","","7958.4","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H76 Ca Mn4 N6 O20 -","- C84 H44 Ca Mn4 N6 O20 -","- C336 H176 Ca4 Mn16 N24 O80 -","4","0.5","","Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization","Inorganic chemistry","2014","54","5","2137","","10.1021/ic502492x","","","0.71073","MoKα","","0.1887","0.1554","","","0.4217","0.4436","","","","","","1.827","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341941","15.979","0.0005","13.8817","0.0006","22.4336","0.0008","90","","90","","90","","4976.1","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H38 Al2 F12 N4 O12 -","- C48 H38 Al2 F12 N4 O12 -","- C192 H152 Al8 F48 N16 O48 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.059","0.0551","","","0.1577","0.1618","","","","","","1.047","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341943","15.3683","0.0018","14.4592","0.0018","23.252","0.002","90","","90","","90","","5166.9","1","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H34 Al2 F12 N4 O8 S4 -","- C46 H34 Al2 F12 N4 O8 S4 -","- C184 H136 Al8 F48 N16 O32 S16 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.1842","0.071","","","0.1347","0.1697","","","","","","0.922","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341963","34.084","0.005","13.3725","0.0019","21.967","0.003","90","","90","","90","","10012","2","140","2","140","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C41 H51 F9 La N10 O9.5 S3 -","- C41 H51 F9 La N10 O9.5 S3 -","- C328 H408 F72 La8 N80 O76 S24 -","8","1","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0403","0.0317","","","0.0734","0.0775","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342154","24.5034","0.0014","17.7143","0.001","16.2571","0.0009","90","","90","","90","","7056.6","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C73 H80 B2 Fe2 N8 Ni2 P2 -","- C73 H80 B2 Fe2 N8 Ni2 P2 -","- C292 H320 B8 Fe8 N32 Ni8 P8 -","4","0.5","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0292","0.0255","","","0.0633","0.0653","","","","","","1.077","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342281","11.8062","0.0003","19.8956","0.0005","21.8851","0.0005","90","","90","","90","","5140.6","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H72 Cl0.09 Ge N6 -","- C54 H72 Cl0.09 Ge N6 -","- C216 H288 Cl0.36 Ge4 N24 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.0464","0.0355","","","0.0926","0.0996","","","","","","1.034","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342321","9.9196","0.0013","22.4852","0.0014","16.444","0.002","90","","90","","90","","3667.7","0.7","100","2","100","2","","","","","","","Dichloromethane, Hexane","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu F12 N10 P2 -","- C30 H24 Cu F12 N10 P2 -","- C120 H96 Cu4 F48 N40 P8 -","4","0.5","","Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.","Inorganic chemistry","2015","54","4","1300","1313","10.1021/ic502750u","","","0.71073","MoKα","","0.1084","0.082","","","0.1881","0.2042","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342507","24.8803","0.0009","28.4809","0.0008","54.2721","0.0016","90","","90","","90","","38458","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C113 H150.5 Cl3 Cu3 K3 N9 O25.75 -","- C113 H146.5 Cl3 Cu3 K3 N9 O25.75 -","- C904 H1172 Cl24 Cu24 K24 N72 O206 -","8","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","1.54178","CuKα","","0.3381","0.2159","","","0.459","0.5138","","","","","","2.321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342555","16.403","0.004","10.2","0.002","16.82","0.004","90","","90","","90","","2814.2","1.1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H45 N4 P3 Se2 -","- C20 H36 N4 P3 Se2 -","- C80 H144 N16 P12 Se8 -","4","0.5","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.1106","0.075","","","0.1594","0.1776","","","","","","1.073","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342656","13.997","0.0011","34.249","0.003","25.491","0.002","90","","90","","90","","12220","1.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C84 H165.1 Cl4 Cr4 La4 N8.7 O37.1 -","- C84 H165.1 Cl4 Cr4 La4 N8.7 O37.1 -","- C336 H660.4 Cl16 Cr16 La16 N34.8 O148.4 -","4","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.1224","0.0867","","","0.2138","0.2305","","","","","","1.216","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342873","20.58","0.002","21.589","0.002","13.637","0.0013","90","","90","","90","","6058.9","1","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H60 Cl4 N8 O12 Zn2 -","- C64 H60 Cl4 N8 O12 Zn2 -","- C256 H240 Cl16 N32 O48 Zn8 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0526","0.0406","","","0.1118","0.1183","","","","","","1.055","","","","has coordinates","138135","2020-10-21","18:00:00",""
"4343204","24.657","0.005","21.365","0.004","14.767","0.003","90","","90","","90","","7779","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C41 H51 Ge N2 O2 P -","- C41 H51 Ge N2 O2 P -","- C328 H408 Ge8 N16 O16 P8 -","8","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.1044","0.0633","","","0.1211","0.1336","","","","","","1.019","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4343265","19.1035","0.0009","9.543","0.0004","17.6708","0.0008","90","","90","","90","","3221.5","0.3","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H30 Mn3 N2 O22 -","- C24 H30 Mn3 N2 O22 -","- C96 H120 Mn12 N8 O88 -","4","0.5","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0353","0.0284","","","0.0731","0.0773","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343448","11.8538","0.0003","16.6879","0.0004","15.5122","0.0004","90","","90","","90","","3068.55","0.13","100.1","0.01","100.1","0.01","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ph6PNP_SSNO","","- C36 H30 N2 O P2 S2 -","- C36 H30 N2 O P2 S2 -","- C144 H120 N8 O4 P8 S8 -","4","0.5","","Wedmann, Rudolf; Zahl, Achim; Shubina, Tatyana E.; Dürr, Maximilian; Heinemann, Frank W.; Bugenhagen, Bernhard Eberhard Christian; Burger, Peter; Ivanovic-Burmazovic, Ivana; Filipovic, Milos R.","Does Perthionitrite (SSNO(-)) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.","Inorganic chemistry","2015","54","19","9367","9380","10.1021/acs.inorgchem.5b00831","","","0.71073","MoKα","","0.0432","0.0397","","","0.1069","0.1102","","","","","","1.063","","","","has coordinates,has disorder","170067","2020-10-21","18:00:00",""
"4343449","11.84799","0.00014","16.68438","0.00018","15.50866","0.00017","90","","90","","90","","3065.7","0.06","100","0.1","100","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H30 N2 O P2 S2 -","- C36 H30 N2 O P2 S2 -","- C144 H120 N8 O4 P8 S8 -","4","0.5","","Wedmann, Rudolf; Zahl, Achim; Shubina, Tatyana E.; Dürr, Maximilian; Heinemann, Frank W.; Bugenhagen, Bernhard Eberhard Christian; Burger, Peter; Ivanovic-Burmazovic, Ivana; Filipovic, Milos R.","Does Perthionitrite (SSNO(-)) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.","Inorganic chemistry","2015","54","19","9367","9380","10.1021/acs.inorgchem.5b00831","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0943","0.0966","","","","","","1.043","","","","has coordinates","170067","2020-10-21","18:00:00",""
"4343529","16.079","0.003","16.362","0.003","19.295","0.004","90","","90","","90","","5076.2","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H78 O3 Si8 Yb -","- C30 H78 O3 Si8 Yb -","- C120 H312 O12 Si32 Yb4 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.025","0.0221","","","0.0552","0.0566","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343531","16.151","0.003","16.497","0.003","19.4","0.004","90","","90","","90","","5169","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H78 O3 Si8 Sm -","- C30 H78 O3 Si8 Sm -","- C120 H312 O12 Si32 Sm4 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0537","0.0352","","","0.0768","0.0822","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343894","23.614","0.003","13.7299","0.0015","20.772","0.002","90","","90","","90","","6734.7","1.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cd N7 O4 -","- C23 H16 Cd N7 O4 -","- C184 H128 Cd8 N56 O32 -","8","1","","Wen, Lili; Zheng, Xiaofang; Lv, Kangle; Wang, Chenggang; Xu, Xiaoyue","Two Amino-Decorated Metal-Organic Frameworks for Highly Selective and Quantitatively Sensing of Hg(II) and Cr(VI) in Aqueous Solution.","Inorganic chemistry","2015","54","15","7133","7135","10.1021/acs.inorgchem.5b00098","","","0.71073","MoKα","","0.081","0.061","","","0.1851","0.1925","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343998","27.019","0.002","38.427","0.003","38.738","0.003","90","","90","","90","","40220","5","298","2","298.15","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C60 H84 Co4 K N24 O120 P5 W30 -","- C60 H84 Co4 K N24 O120 P5 W30 -","- C480 H672 Co32 K8 N192 O960 P40 W240 -","8","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Jagličić, Zvonko; Yu, Kai; Wang, Xing-Po; Sun, Di","Four Hybrid Materials Based on Preyssler P5W30 Polyoxometalate and First-Row Transition-Metal Complex.","Inorganic chemistry","2015","54","15","7415","7423","10.1021/acs.inorgchem.5b00962","","","0.71073","MOKα","","0.1446","0.1146","","","0.2506","0.2689","","","","","","0.923","","","","has coordinates","152803","2020-10-21","18:00:00",""
"4344036","13.184","0.002","11.97","0.002","26.428","0.005","90","","90","","90","","4170.7","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C45 H35 Cl3 F4 N2 O4 Pt2 -","- C45 H35 Cl3 F4 N2 O4 Pt2 -","- C180 H140 Cl12 F16 N8 O16 Pt8 -","4","0.5","","Xing, Yang; Liu, Chun; Xiu, Jing-Hai; Li, Jiu-Yan","Photostable Fluorophenyl-Substituted Cyclometalated Platinum(II) Emitters for Monitoring of Molecular Oxygen in Real Time.","Inorganic chemistry","2015","54","16","7783","7790","10.1021/acs.inorgchem.5b00775","","","0.71073","MoKα","","0.0366","0.0302","","","0.102","0.1064","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344037","13.2671","0.001","12.1276","0.001","26.656","0.002","90","","90","","90","","4288.9","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H33 Cl3 F6 N2 O4 Pt2 -","- C46 H33 Cl3 F6 N2 O4 Pt2 -","- C184 H132 Cl12 F24 N8 O16 Pt8 -","4","0.5","","Xing, Yang; Liu, Chun; Xiu, Jing-Hai; Li, Jiu-Yan","Photostable Fluorophenyl-Substituted Cyclometalated Platinum(II) Emitters for Monitoring of Molecular Oxygen in Real Time.","Inorganic chemistry","2015","54","16","7783","7790","10.1021/acs.inorgchem.5b00775","","","0.71073","MoKα","","0.0448","0.0381","","","0.1628","0.169","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344099","19.5728","0.0014","21.5363","0.0009","15.4426","0.0006","90","","90","","90","","6509.5","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H50 N2 Si Sr -","- C30 H50 N2 Si Sr -","- C240 H400 N16 Si8 Sr8 -","8","1","","Blom, Burgert; Said, Amro; Szilvási, Tibor; Menezes, Prashanth W.; Tan, Gengwen; Baumgartner, Judith; Driess, Matthias","Alkaline-Earth-Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium from N-Heterocyclic Metallylenes.","Inorganic chemistry","2015","54","17","8840","8848","10.1021/acs.inorgchem.5b01643","","","0.71073","MoKα","","0.1806","0.0997","","","0.23","0.288","","","","","","1.115","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344162","7.026","","12.098","","7.439","","90","","90","","90","","632.319","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(N H4)2 Ce F6","","- Ce F6 H8 N2 -","- Ce F6 N2 -","- Ce4 F24 N8 -","4","0.5","","Ryan, R.R.; Kruse, F.H.; Larson, A.C.","Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6","Inorganic Chemistry","1969","8","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344263","10.49","","14.26","","18.77","","90","","90","","90","","2807.75","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni2 ((C F3)2 P S P (C F3)2)2 (C O)3","","- C11 F24 Ni2 O3 P4 S2 -","- C11 F24 Ni2 O3 P4 S2 -","- C44 F96 Ni8 O12 P16 S8 -","4","0.5","","Einspahr, H.; Donohue, J.","Crystal and Molecular Structure of mue-Carbonyl-di-mue-(bis(bis(trifluoromethyl)phosphino) ulfur-P,P')-bis(carbonylnickel)","Inorganic Chemistry","1974","13","","1839","1840","","","","","","","","","","","","","","","","","","","","","","has coordinates","163538","2020-10-21","18:00:00",""
"4344284","13.725","","5.672","","11.092","","90","","90","","90","","863.492","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mo Fe2 P12","","- Fe2 Mo P12 -","- Fe2 Mo P12 -","- Fe8 Mo4 P48 -","4","0.5","","Floerke, U.; Jeitschko, W.","Preparation, physical properties, and crystal structure of Mo Fe2 P12 and W Fe2 P12","Inorganic Chemistry","1983","22","","1736","1739","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344511","14.84","","10.828","","13.345","","90","","90","","90","","2144.38","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Te3.66 Se6.22 (As F6)2","","- As2 F12 Se6.22 Te3.66 -","- As2 F12 Se6.22 Te3.66 -","- As8 F48 Se24.88 Te14.64 -","4","0.5","","Boldrini, P.; Brown, I.; Vekris, J.E.; Ireland, P.R.; Gillespie, R.J.; Slim, D.R.; Luk, W.C.","Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2, and tetratellurium hexaselenium bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2","Inorganic Chemistry","1976","15","","765","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","173163","2020-10-21","18:00:00",""
"4344523","13.426","","11.848","","6.956","","90","","90","","90","","1106.5","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","K2 (Pt (C N)4) (H2 O)3","","- C4 H6 K2 N4 O3 Pt -","- C4 H6 K2 N4 O3 Pt -","- C16 H24 K8 N16 O12 Pt4 -","4","0.5","","Washecheck, D.M.; Reis, A.H.jr.; Peterson, S.; Williams, J.M.","Crystal and molecular structure by neutron diffraction of potassium tetracyanoplatinate(II) trihydrate, the starting product for partially oxidized conducting cyanoplatinate salts","Inorganic Chemistry","1976","15","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344541","21.7674","0.0009","8.3961","0.0004","20.4083","0.0009","90","","90","","90","","3729.8","0.3","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","H4L_2MeCN","","","- C44 H34 N6 O6 -","- C44 H34 N6 O6 -","- C176 H136 N24 O24 -","4","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0547","0.0488","","","0.1376","0.1425","","","","","","1.064","","","","has coordinates,has disorder","175482","2020-10-21","18:00:00",""
"4344607","24.7139","0.0002","21.6677","0.0002","20.0276","0.0001","90","","90","","90","","10724.7","0.14","292","2","292","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- Co4 Cs2.5 H33 Na1.5 O52 P W9 -","- Co4 Cs2.5 O47 P W9 -","- Co32 Cs20 O376 P8 W72 -","8","1","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0728","0.047","","","0.1346","0.1481","","","","","","1.051","","","","has coordinates","175527","2020-10-21","18:00:00",""
"4344667","26.8748","0.0007","7.85585","0.00016","31.2173","0.0007","90","","90","","90","","6590.7","0.3","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H38 N2 O12 S U -","- C30 H38 N2 O12 S U -","- C240 H304 N16 O96 S8 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0369","0.0248","","","0.0493","0.0534","","","","","","1.062","","","","has coordinates","175558","2020-10-21","18:00:00",""
"4344873","20.9473","0.0008","13.3532","0.0004","11.1554","0.0004","90","","90","","90","","3120.32","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H17 Ag N3 O2 P -","- C10 H17 Ag N3 O2 P -","- C80 H136 Ag8 N24 O16 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.0576","0.052","","","0.1241","0.126","","","","","","1.195","","","","has coordinates","177194","2020-10-21","18:00:00",""
"4344922","29.2649","0.0004","7.8975","0.0001","42.5654","0.0007","90","","90","","90","","9837.7","0.2","100","0.3","100","0.3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H33 N O9 Zn -","- C35 H33 N O9 Zn -","- C280 H264 N8 O72 Zn8 -","8","1","","Li, Wei-Jin; Liu, Juan; Sun, Zhi-Hua; Liu, Tian-Fu; Lü, Jian; Gao, Shui-Ying; He, Chao; Cao, Rong; Luo, Jun-Hua","Integration of metal-organic frameworks into an electrochemical dielectric thin film for electronic applications","Nature Communications","2016","7","15","11830","","10.1038/ncomms11830","","","1.54184","CuKα","","0.0809","0.0697","","","0.2013","0.2105","","","","","","1.084","","","","has coordinates","189228","2020-10-21","18:00:00",""
"4345185","12.589","0.003","20.726","0.004","17.533","0.004","90","","90","","90","","4574.7","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H57 B2 N13 U -","- C40 H57 B2 N13 U -","- C160 H228 B8 N52 U4 -","4","0.5","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0699","0.0434","","","0.1105","0.1262","","","","","","1.059","","","","has coordinates,has disorder","193415","2020-10-21","18:00:00",""
"4345189","12.3579","0.0004","36.6595","0.0015","17.992","0.0007","90","","90","","90","","8151","0.5","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C61 H85 Cl5 Co2 Cr2 N14 O20 -","- C61 H85 Cl5 Co2 Cr2 N14 O20 -","- C244 H340 Cl20 Co8 Cr8 N56 O80 -","4","0.5","","Giner, Elena A.; Gómez-Gallego, Mar; Casarrubios, Luis; de la Torre, María C; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Effect of a κ(1)-Bonded-M-1,2,3-triazole (M = Co, Ru) on the Structure and Reactivity of Group 6 Alkoxy (Fischer) Carbenes.","Inorganic chemistry","2017","56","5","2801","2811","10.1021/acs.inorgchem.6b02957","","","0.71073","MoKα","","0.2332","0.1157","","","0.2749","0.3769","","","","","","0.972","","","","has coordinates,has disorder","194796","2020-10-21","18:00:00",""
"4345432","15.6497","0.0011","11.9057","0.0009","26.558","0.002","90","","90","","90","","4948.3","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","11c","","","- C52 H70 N2 O7 V2 -","- C52 H70 N2 O7 V2 -","- C208 H280 N8 O28 V8 -","4","0.5","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","1.54178","CuKα","","0.169","0.1126","","","0.2641","0.2898","","","","","","1.134","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345536","21.355","0.0003","20.519","0.0005","25.315","0.0005","90","","90","","90","","11092.6","0.4","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Moris496 (Heng Liu)","","","- C117 H116 N6 O4 Th -","- C117 H116 N6 O4 Th -","- C468 H464 N24 O16 Th4 -","4","0.5","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.094","0.0495","","","0.1245","0.1457","","","","","","1.1","","","","has coordinates,has disorder","194826","2020-10-21","18:00:00",""
"4345931","15.5618","0.0008","14.1127","0.0007","23.1335","0.0019","90","","90","","90","","5080.6","0.6","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H65 Cu F6 Mg N4 -","- C52 H64 Cu F6 Mg N4 -","- C208 H256 Cu4 F24 Mg4 N16 -","4","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.1465","0.0839","","","0.1586","0.1863","","","","","","1.099","","","","has coordinates,has disorder","200656","2020-10-21","18:00:00",""
"4346127","15.1013","0.0006","15.4882","0.0004","15.5085","0.0005","90","","90","","90","","3627.3","0.2","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H48 Cu4 I4 S4 -","- C20 H48 Cu4 I4 S4 -","- C80 H192 Cu16 I16 S16 -","4","0.5","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71069","MoKα","","0.0732","0.0636","","","0.1464","0.1531","","","","","","1.077","","","","has coordinates,has disorder","231622","2020-10-21","18:00:00",""
"4347233","12.9873","0.0013","14.0621","0.001","20.4039","0.0016","90","","90","","90","","3726.3","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu2 N6 O8 -","- C22 H14 Cu2 N6 O8 -","- C88 H56 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0531","0.0417","","","0.1137","0.1179","","","","","","0.943","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347234","13.4593","0.001","13.2047","0.0012","20.1844","0.0019","90","","90","","90","","3587.3","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.059","0.0395","","","0.0991","0.1051","","","","","","0.906","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347235","13.4006","0.0011","13.3794","0.0008","20.2814","0.0012","90","","90","","90","","3636.3","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.038","0.0313","","","0.0936","0.0959","","","","","","0.973","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347236","13.4952","0.0007","13.2445","0.0006","20.4401","0.0014","90","","90","","90","","3653.4","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N6 O8 Zn2 -","- C24 H18 N6 O8 Zn2 -","- C96 H72 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.039","0.0265","","","0.0695","0.0731","","","","","","0.874","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347237","13.4344","0.0009","13.3485","0.001","20.181","0.0018","90","","90","","90","","3619","0.5","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cu2 N6 O8 -","- C26 H22 Cu2 N6 O8 -","- C104 H88 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0478","0.0275","","","0.0586","0.061","","","","","","0.818","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347238","13.5632","0.001","13.3371","0.001","20.337","0.002","90","","90","","90","","3678.8","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 N6 O8 Zn2 -","- C26 H22 N6 O8 Zn2 -","- C104 H88 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0689","0.0438","","","0.1017","0.1073","","","","","","0.861","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347239","13.3344","0.0015","13.6545","0.0014","20.0416","0.0017","90","","90","","90","","3649.1","0.6","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 Cu2 N6 O8 -","- C28 H26 Cu2 N6 O8 -","- C112 H104 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0541","0.037","","","0.0972","0.1028","","","","","","0.941","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347470","17.2091","0.0008","9.5711","0.0004","26.2779","0.0011","90","","90","","90","","4328.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H24 Mo N2 O S4 -","- C18 H24 Mo N2 O S4 -","- C144 H192 Mo8 N16 O8 S32 -","8","1","","Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying","Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.","Inorganic chemistry","2016","55","8","3960","3966","10.1021/acs.inorgchem.6b00206","","x-ray","0.71073","MoKα","","0.0772","0.0503","","","0.1292","0.1446","","","","","","1.036","","","","has coordinates,has disorder","232333","2020-10-21","18:00:00",""
"4347500","13.8034","0.0011","9.9319","0.0008","13.968","0.0011","90","","90","","90","","1914.9","0.3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0378","0.0346","","","0.094","0.0956","","","","","","1.119","","","","has coordinates","232344","2020-10-21","18:00:00",""
"4347502","13.857","0.006","9.851","0.004","14.252","0.006","90","","90","","90","","1945.5","1.4","230","2","230","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0386","0.0317","","","0.0767","0.0808","","","","","","1.082","","","","has coordinates,has disorder","232346","2020-10-21","18:00:00",""
"4347507","12.6615","0.0006","9.8438","0.0006","26.6819","0.0012","90","","90","","90","","3325.6","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.093","0.081","","","0.2132","0.2233","","","","","","1.023","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4347881","31.159","0.003","14.105","0.0012","16.8481","0.0013","90","","90","","90","","7404.7","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(triphenylphosphine)iminium trihydrogenpyrophosphate","","- C36 H33 N O7 P4 -","- C36 H33 N O7 P4 -","- C288 H264 N8 O56 P32 -","8","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.1033","0.0532","","","0.1256","0.1518","","","","","","1.023","","","","has coordinates,has disorder","232560","2020-10-21","18:00:00",""
"4347954","9.434","0.002","14.676","0.003","13.464","0.004","90","","90","","90","","1864.1","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl2 N4 O2 U -","- C16 H20 Cl2 N4 O2 U -","- C64 H80 Cl8 N16 O8 U4 -","4","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0719","0.0304","","","0.051","0.0612","","","","","","0.949","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4348078","9.8537","0.0006","17.0537","0.0011","27.5549","0.0017","90","","90","","90","","4630.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H29 Cu1.5 N5 O8 -","- C20 H29 Cu1.5 N5 O8 -","- C160 H232 Cu12 N40 O64 -","8","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.077","0.0624","","","0.1364","0.141","","","","","","1.16","","","","has coordinates","232730","2020-10-21","18:00:00",""
"4348163","13.3677","0.0008","16.8635","0.0012","10.7622","0.0006","90","","90","","90","","2426.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Ti(DOBDC)(cat)(DEAH)2","","","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","1","0.125","","Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas","Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers.","Inorganic chemistry","2016","55","15","7192","7199","10.1021/acs.inorgchem.6b01060","","x-ray","0.66762","synchrotron","","0.0812","0.0676","","","0.1836","0.1987","","","","","","1.058","","","","has coordinates","232804","2020-10-21","18:00:00",""
"4348513","12.2089","0.0005","12.8204","0.0005","22.5411","0.0014","90","","90","","90","","3528.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H54 Cl Cr N4 Si2 -","- C30 H54 Cl Cr N4 Si2 -","- C120 H216 Cl4 Cr4 N16 Si8 -","4","0.5","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","1.54178","CuKα","","0.0946","0.0606","","","0.1454","0.17","","","","","","1.065","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348585","18.6865","0.0006","8.8626","0.0003","16.5367","0.0006","90","","90","","90","","2738.66","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cu2 N4 -","- C30 H34 Cu2 N4 -","- C120 H136 Cu8 N16 -","4","0.5","","Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja","Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.","Inorganic chemistry","2016","55","19","9653","9662","10.1021/acs.inorgchem.6b01400","","","0.71073","MoKα","","0.0522","0.0383","","","0.1175","0.1235","","","","","","1.088","","","","has coordinates","233138","2020-10-21","18:00:00",""
"4348606","9.405","0.001","20.389","0.003","31.799","0.004","90","","90","","90","","6097.7","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H37 Cd N5 O9 -","- C25 H37 Cd N5 O9 -","- C200 H296 Cd8 N40 O72 -","8","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0865","0.0598","","","0.1606","0.1769","","","","","","1.072","","","","has coordinates","233173","2020-10-21","18:00:00",""
"4348693","11.56","0.0009","29.075","0.003","21.4073","0.0018","90","","90","","90","","7195.1","1.1","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17 H30 Cl6 F6 N8 O2 P6 -","- C17 H30 Cl6 F6 N8 O2 P6 -","- C136 H240 Cl48 F48 N64 O16 P48 -","8","1","","Beşli, Serap; Mutlu Balcı, Ceylan; Cantürk, Hakan; Doğan, Semih; Yuksel, Fatma; Allen, Christopher W.","Unexpected Ring Expansion of a Four-Membered Cyclophosphazane.","Inorganic chemistry","2016","55","16","7832","7834","10.1021/acs.inorgchem.6b01533","","","0.71073","MoKα","","0.0894","0.0587","","","0.1021","0.1119","","","","","","1.154","","","","has coordinates,has disorder","233280","2020-10-21","18:00:00",""
"4348699","9.03948","0.00005","17.10755","0.00011","32.28154","0.00017","90","","90","","90","","4992.13","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 Br N2 Ni -","- C28 H35 Br N2 Ni -","- C224 H280 Br8 N16 Ni8 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0767","0.0774","","","","","","1.089","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348702","26.0692","0.0004","9.07493","0.00017","21.6239","0.0004","90","","90","","90","","5115.7","0.16","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0483","0.0372","","","0.0982","0.1052","","","","","","1.017","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348703","26.3054","0.0009","9.2","0.0003","21.7175","0.0006","90","","90","","90","","5255.8","0.3","273","0.1","273","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0646","0.0465","","","0.1154","0.126","","","","","","1.028","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348726","38.397","0.003","15.7163","0.0014","15.2617","0.0014","90","","90","","90","","9209.8","1.4","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H69 Br Fe N3 P3 Ti -","- C42 H69 Br Fe N3 P3 Ti -","- C336 H552 Br8 Fe8 N24 P24 Ti8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0535","0.0349","","0.0707","0.0664","0.0707","","","","","","0.9593","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348771","21.884","0.0015","9.6475","0.0007","11.3145","0.0009","90","","90","","90","","2388.8","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H22 Hg2 N4 O8 S2 -","- C18 H22 Hg2 N4 O8 S2 -","- C72 H88 Hg8 N16 O32 S8 -","4","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.098","0.0915","","","0.2634","0.27","","","","","","1.158","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348919","54.8011","0.0019","10.6074","0.0003","16.3787","0.0005","90","","90","","90","","9520.9","0.5","280","2","280","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.1097","0.078","","","0.2019","0.2215","","","","","","1.037","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348920","53.7002","0.0012","10.6448","0.0002","16.3472","0.0003","90","","90","","90","","9344.5","0.3","253","2","253","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0925","0.0796","","","0.217","0.2307","","","","","","1.031","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4349090","12.7243","0.0014","13.294","0.0015","28.598","0.003","90","","90","","90","","4837.5","0.9","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Dy N O11 -","- C15 H12 Dy N O11 -","- C120 H96 Dy8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.0644","0.0616","","","0.1491","0.15","","","","","","1.178","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349091","12.78","0.002","13.358","0.003","28.668","0.005","90","","90","","90","","4894.1","1.6","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Eu N O11 -","- C15 H12 Eu N O11 -","- C120 H96 Eu8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.065","0.0537","","","0.1385","0.142","","","","","","1.095","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349159","15.4185","0.001","15.8876","0.0011","15.7183","0.0011","90","","90","","90","","3850.4","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cu2 N6 O2 -","- C22 H16 Cu2 N6 O2 -","- C176 H128 Cu16 N48 O16 -","8","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0345","0.0289","","","0.0812","0.0859","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349162","15.219","0.004","7.4337","0.0019","19.372","0.005","90","","90","","90","","2191.6","1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cl2 Cu3 N6 O2 -","- C22 H16 Cl2 Cu3 N6 O2 -","- C88 H64 Cl8 Cu12 N24 O8 -","4","0.5","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0422","0.0262","","","0.0621","0.0705","","","","","","1.001","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349203","15.6589","0.0007","21.6542","0.001","15.3795","0.0006","90","","90","","90","","5214.9","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H19 Au2 Cl3 N2 -","- C27 H19 Au2 Cl3 N2 -","- C216 H152 Au16 Cl24 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.054","0.0362","","","0.0887","0.0972","","","","","","1.011","","","","has coordinates","233700","2020-10-21","18:00:00",""
"4349332","32.926","0.013","21.102","0.008","15.364","0.006","90","","90","","90","","10675","7","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C39 H39 F12 N10 O P2 Ru -","- C39 H39 F9 N10 O P1.5 Ru -","- C312 H312 F72 N80 O8 P12 Ru8 -","8","1","","Ito, Akitaka; Kobayashi, Nozomi; Teki, Yoshio","Low-Energy and Long-Lived Emission from Polypyridyl Ruthenium(II) Complexes Having A Stable-Radical Substituent.","Inorganic chemistry","2017","56","7","3794","3808","10.1021/acs.inorgchem.6b02470","","","0.7107","MoKα","","0.1518","0.133","","","0.3791","0.4041","","","","","","1.678","","","","has coordinates","233865","2020-10-21","18:00:00",""
"4349382","16.3997","0.0003","15.1616","0.0002","16.9223","0.0003","90","","90","","90","","4207.66","0.12","112","","112","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C32 H66 Fe Ga2 N2 Si4 -","- C32 H66 Fe Ga2 N2 Si4 -","- C128 H264 Fe4 Ga8 N8 Si16 -","4","0.5","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","1.54184","CuKα","","0.0282","0.0252","","","0.0663","0.0683","","","","","","1.037","","","","has coordinates","233911","2020-10-21","18:00:00",""
"4349456","27.841","0.006","7.5266","0.0015","17.413","0.003","90","","90","","90","","3648.9","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H15 N3 O9 Zn -","- C18 H11 N3 O9 Zn -","- C144 H88 N24 O72 Zn8 -","8","1","","Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang","Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands","Inorganic Chemistry Frontiers","2016","3","6","814","","10.1039/C6QI00013D","","","0.71073","MoKα","","0.081","0.0577","","","0.147","0.1598","","","","","","1.058","","","","has coordinates","234790","2020-10-21","18:00:00",""
"4349478","17.2073","0.0011","15.8244","0.001","20.0712","0.0013","90","","90","","90","","5465.3","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H72 Dy Li N4 O4 -","- C64 H72 Dy Li N4 O4 -","- C256 H288 Dy4 Li4 N16 O16 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen","Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy‒O bonds","Inorganic Chemistry Frontiers","2016","3","8","1028","","10.1039/C6QI00117C","","","0.71073","MoKα","","0.0317","0.0223","","","0.0498","0.0545","","","","","","1.043","","","","has coordinates","234807","2020-10-21","18:00:00",""
"4349842","4.83448","0.00012","14.1398","0.0005","22.1826","0.0008","90","","90","","90","","1516.37","0.09","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8.036 H6 Cu0.5 N2.927 O -","- C8.0365 H6 Cu0.5 N2.927 O -","- C64.292 H48 Cu4 N23.416 O8 -","8","1","","Li, Shixiong; Wei, Chaohai; Hu, Yun; Wu, Haizhen; Li, Fusheng","In situ synthesis and photocatalytic mechanism of a cyano bridged Cu(i) polymer","Inorganic Chemistry Frontiers","2018","5","6","1282","","10.1039/C8QI00205C","","","0.71073","MoKα","","0.0562","0.0418","","","0.108","0.1179","","","","","","1.0183","","","","has coordinates,has disorder","236889","2020-10-21","18:00:00",""
"4349864","13.3099","0.0004","10.2168","0.0003","8.0515","0.0003","90","","90","","90","","1094.88","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Wang, Lusha; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Shi, Fa-nian","Sulfur vacancy-rich CdS loaded on filter paper-derived 3D nitrogen-doped mesoporous carbon carrier for photocatalytic VOC removal","Inorganic Chemistry Frontiers","2018","5","6","1470","","10.1039/C8QI00305J","","","0.71073","MoKα","","0.0352","0.0294","","","0.0685","0.0743","","","","","","1.085","","","","has coordinates","236898","2020-10-21","18:00:00",""
"4350158","9.04","0.002","14.87","0.003","10.27","0.002","90","","90","","90","","1380.5","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H11 Cu I N3 -","- C15 H11 Cu I N3 -","- C60 H44 Cu4 I4 N12 -","4","0.5","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0518","0.0295","","","0.0547","0.0603","","","","","","0.982","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350161","23.681","0.002","20.6169","0.0019","8.7336","0.0008","90","","90","","90","","4264","0.7","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O20 -","- C40 H28 Co N6 O20 -","- C160 H112 Co4 N24 O80 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.1226","0.0805","","","0.2361","0.2716","","","","","","1.013","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350162","23.092","0.005","20.572","0.005","8.496","0.002","90","","90","","90","","4036","1.6","696","2","423","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O14 -","- C40.4 H20 Co N6 O14.2 -","- C161.6 H80 Co4 N24 O56.8 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2127","0.1039","","","0.2384","0.3119","","","","","","1.039","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350163","23.025","0.003","20.722","0.003","8.279","0.0012","90","","90","","90","","3950.1","1","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O14 -","- C40.348 H28 Co N6 O14.174 -","- C161.392 H112 Co4 N24 O56.696 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.0978","0.0785","","","0.1904","0.1998","","","","","","1.121","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350164","23.677","0.003","20.576","0.002","8.7155","0.0009","90","","90","","90","","4246","0.8","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O20 -","- C40 H28 Co N6 O20 -","- C160 H112 Co4 N24 O80 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.177","0.0985","","","0.2592","0.334","","","","","","1.137","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350165","23.481","0.002","20.5272","0.0018","8.8844","0.0008","90","","90","","90","","4282.3","0.7","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 N6 Ni O18.88 -","- C40 H28 N6 Ni O19.056 -","- C160 H112 N24 Ni4 O76.224 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.1307","0.0701","","","0.1966","0.2385","","","","","","1.05","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350166","23","0.005","20.625","0.004","8.5022","0.0017","90","","90","","90","","4033.2","1.4","373","2","373","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H20 N6 Ni O14 -","- C40.004 H20 N6 Ni O14.002 -","- C160.016 H80 N24 Ni4 O56.008 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2268","0.0982","","","0.2009","0.2614","","","","","","1.037","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350167","23.401","0.009","20.501","0.008","8.723","0.003","90","","90","","90","","4185","3","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 N6 Ni O19 -","- C40 H28 N6 Ni O19.016 -","- C160 H112 N24 Ni4 O76.064 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2517","0.1165","","","0.2613","0.3165","","","","","","1.172","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350169","10.2597","0.0005","19.9558","0.0011","18.0052","0.0009","90","","90","","90","","3686.4","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis[5-tertbutylpyrazole]zinc(II) dinitrate (compound 1)","","- C28 H48 N10 O6 Zn -","- C27.84 H47.64 N9.98 O5.94 Zn -","- C111.36 H190.56 N39.92 O23.76 Zn4 -","4","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0712","0.0584","","","0.1556","0.1697","","","","","","1.04","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4350214","15.8628","0.0018","11.9594","0.0008","21.3058","0.0015","90","","90","","90","","4041.9","0.6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H26 As2 Mn3 N6 O S8 -","- C30 H24 As2 Mn3 N6 O S8 -","- C120 H96 As8 Mn12 N24 O4 S32 -","4","0.5","","Fu, Ming-Lai; Guo, Guo-Cong; Liu, Xi; Chen, Wen-Tong; Liu, Bing; Huang, Jin-Shun","Incorporation of a new type of transition metal complex into the thioarsenate anion: syntheses, structures, and properties of two novel compounds [Mn3(2,2'-bipy)3(AsVS4)2]n.nH2O and Mn2(2,2'-bipy)As2IIIS5.","Inorganic chemistry","2006","45","15","5793","5798","10.1021/ic0600228","","","0.71073","MoKα","","0.0529","0.0497","","","0.129","0.1316","","","","","","1.044","","","","has coordinates","239792","2020-10-21","18:00:00",""
"4350266","30.734","0.005","20.182","0.003","21.84","0.003","90","","90","","90","","13547","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H64 N4 Ni2 O6 -","- C44 H64 N4 Ni2 O6 -","- C528 H768 N48 Ni24 O72 -","12","1.5","","Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio","Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.","Inorganic chemistry","2006","45","19","7903","7914","10.1021/ic0602594","","","0.71073","MoKα","","0.1777","0.0517","","","0.1123","0.1571","","","","","","0.93","","","","has coordinates","239819","2020-10-21","18:00:00",""
"4350425","9.554","0.002","12.21","0.003","9.679","0.002","90","","90","","90","","1129.1","0.4","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H5 B F6 N2 O2 -","- C11 H5 B F6 N2 O2 -","- C44 H20 B4 F24 N8 O8 -","4","0.5","","Maeda, Hiromitsu; Ito, Yoshihiro","BF2 complex of fluorinated dipyrrolyldiketone: a new class of efficient receptor for acetate anions.","Inorganic chemistry","2006","45","20","8205","8210","10.1021/ic0608703","","","0.71073","MoKα","","0.0386","0.0352","","","0.0897","0.0919","","","","","","1.034","","","","has coordinates","239891","2020-10-21","18:00:00",""
"4350451","15.226","0.004","8.3221","0.0019","23.698","0.005","90","","90","","90","","3002.8","1.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H13 La O9.18 -","- C11 H13 La O9.175 -","- C88 H104 La8 O73.4 -","8","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0366","0.0246","","","0.0481","0.0513","","","","","","1.047","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350559","12.1602","0.0008","24.5344","0.0015","16.4754","0.0011","90","","90","","90","","4915.3","0.6","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","(tBu2Bob)titanium(IV) bis(2,6-diisopropylphenoxide) diethyl etherate","(2,2'-Biphenylbis(4-t-butyl-2,4-butanedionato))titanium(IV) bis (2,6-diisopropylphenoxide) diethyl etherate","","- C56 H76 O7 Ti -","- C56 H76 O7 Ti -","- C224 H304 O28 Ti4 -","4","0.5","","Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.","Mononucleating bis(beta-diketonate) ligands and their titanium(IV) complexes.","Inorganic chemistry","2006","45","25","10309","10320","10.1021/ic061201s","","","0.71073","MoKα","","0.0573","0.0458","","","0.1213","0.1309","","","","","","1.085","","","","has coordinates","239942","2020-10-21","18:00:00",""
"4350574","10.627","0.001","23.776","0.001","22.477","0.002","90","","90","","90","","5679.2","0.8","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H33 Cl Cu N2 O4.5 S2 -","- C25.5 H33 Cl Cu N2 O4.5 S2 -","- C204 H264 Cl8 Cu8 N16 O36 S16 -","8","1","","Rammal, Wassim; Belle, Catherine; Béguin, Claude; Duboc, Carole; Philouze, Christian; Pierre, Jean-Louis; Le Pape, Laurent; Bertaina, Sylvain; Saint-Aman, Eric; Torelli, Stéphane","Multifrequency EPR and redox reactivity investigations of a bis(mu-thiolato)-dicopper(II,II) complex.","Inorganic chemistry","2006","45","25","10355","10362","10.1021/ic0612606","","","0.71073","MoKα","","0.0651","0.0651","","0.0673","","0.0673","","","1.908","","","1.908","","","","has coordinates","239946","2020-10-21","18:00:00",""
"4350621","11.254","0.002","12.092","0.002","19.741","0.004","90","","90","","90","","2686.4","0.8","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H38 N4 Sb2 -","- C24 H38 N4 Sb2 -","- C96 H152 N16 Sb8 -","4","0.5","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.1031","0.0535","","","0.1328","0.1612","","","","","","1.018","","","","has coordinates","239969","2020-10-21","18:00:00",""
"4350690","7.9824","0.0005","21.9479","0.0008","23.6689","0.0011","90","","90","","90","","4146.7","0.4","123","","123","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H40 F12 Fe N12 P2 -","- C35 H40 F12 Fe N12 P2 -","- C140 H160 F48 Fe4 N48 P8 -","4","0.5","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0642","0.0591","","","0.1365","0.139","","","","","","1.187","","","","has coordinates,has disorder","239987","2020-10-21","18:00:00",""
"4350691","8.3093","0.0002","21.6677","0.0007","16.8372","0.0006","90","","90","","90","","3031.43","0.16","123","","123","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C27 H24 F12 Fe N8 P2 -","- C27 H24 F12 Fe N8 P2 -","- C108 H96 F48 Fe4 N32 P8 -","4","0.5","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0338","0.0273","","","0.0652","0.0693","","","","","","1.045","","","","has coordinates,has disorder","239987","2020-10-21","18:00:00",""
"4500032","38.2531","0.0007","11.7127","0.0002","24.218","0.0004","90","","90","","90","","10850.8","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","2","P b c n","-P 2n 2ab","60","","","","- C77 H59 -","- C77 H59 -","- C616 H472 -","8","1","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0673","0.0472","","","0.1309","0.1398","","","","","","1.034","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500110","22.0525","0.0017","23.1373","0.0018","10.1729","0.0008","90","","90","","90","","5190.6","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H54 Cd2 N6 O8 -","- C57 H54 Cd2 N6 O8 -","- C228 H216 Cd8 N24 O32 -","4","0.5","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0571","0.0405","","","0.0912","0.1001","","","","","","1.061","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500180","28.057","0.006","30.504","0.006","23.961","0.005","90","","90","","90","","20507","7","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H48 N7 O65 P2 W18 -","- C24 H48 N7 O65.02 P2 W18 -","- C192 H384 N56 O520.16 P16 W144 -","8","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.1986","0.0816","","","0.164","0.2062","","","","","","0.957","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500284","18.0451","0.0018","15.0183","0.0008","18.8449","0.0016","90","","90","","90","","5107.1","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H25 N2 O12.5 U -","- C14 H22 N2 O12.5 U -","- C112 H176 N16 O100 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.1021","0.0721","","","0.1858","0.1982","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500658","10.531","0.003","14.549","0.006","7.681","0.003","90","","90","","90","","1176.8","0.7","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 Mn N3 O7 -","- C10 H11 Mn N3 O7 -","- C40 H44 Mn4 N12 O28 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0276","0.0258","","","0.07","0.071","","","","","","1.136","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500819","11.4148","0.0007","20.1672","0.0012","14.8653","0.0009","90","","90","","90","","3422.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H35 N9 O8 S2 -","- C30 H32 N9 O8 S2 -","- C120 H128 N36 O32 S8 -","4","0.5","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0402","0.0349","","","0.0994","0.1091","","","","","","0.812","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500854","14.444","0.0018","12.5254","0.0015","13.3074","0.0016","90","","90","","90","","2407.5","0.5","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H14 Cu4 N8 -","- C12 H15 Cu4 N7 -","- C48 H60 Cu16 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0912","0.0861","","","0.2363","0.2539","","","","","","1.184","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4501195","18.704","0.002","11.6908","0.0013","9.4873","0.001","90","","90","","90","","2074.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Mn N2 O4 -","- C24 H18 Mn N2 O4 -","- C96 H72 Mn4 N8 O16 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0784","0.0521","","","0.1875","0.2034","","","","","","1.19","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501308","3.6585","0.0003","14.7575","0.0012","14.6863","0.0011","90","","90","","90","","792.92","0.11","123","2","123","2","","","101.3","","","","","4","P b c n","-P 2n 2ab","60","5-aminoisophthalic acid","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","0.5","","Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro","Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors","Crystal Growth & Design","2011","11","10","4305","","10.1021/cg2010437","","x-ray","0.71075","MoKα","","0.0519","0.039","","","0.1008","0.1107","","","","","","1.067","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501594","18.543","0.003","11.3866","0.0016","26.959","0.004","90","","90","","90","","5692.2","1.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H25 N4 O11 Zn2 -","- C27 H25 N4 O11 Zn2 -","- C216 H200 N32 O88 Zn16 -","8","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands","Crystal Growth & Design","2010","10","6","2641","","10.1021/cg100139p","","","0.71073","MoKα","","0.0759","0.0588","","","0.2256","0.2536","","","","","","1.064","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501761","15.9934","0.0012","9.1122","0.0007","9.9053","0.0008","90","","90","","90","","1443.55","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Cd O8 -","- C16 H8 Cd O8 -","- C64 H32 Cd4 O32 -","4","0.5","","Wen, Li-Li; Wang, Feng; Leng, Xiao-Ke; Wang, Cheng-Gang; Wang, Lian-Yi; Gong, Jing-Ming; Li, Dong-Feng","Efficient Detection of Organophosphate Pesticide Based on a Metal−Organic Framework Derived from Biphenyltetracarboxylic Acid","Crystal Growth & Design","2010","10","7","2835","","10.1021/cg1004352","","","0.71073","MoKα","","0.0283","0.0205","","","0.0522","0.0563","","","","","","1.044","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501767","15.8","0.003","8.5958","0.0017","18.46","0.004","90","","90","","90","","2507.1","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Li2 N2 O5 -","- C10 H10 Li2 N2 O5 -","- C80 H80 Li16 N16 O40 -","8","1","","Banerjee, Debasis; Kim, Sun Jin; Li, Wei; Wu, Haohan; Li, Jing; Borkowski, Lauren A.; Philips, Brian L.; Parise, John B.","Synthesis and Structural Characterization of a 3-D Lithium Based Metal−Organic Framework Showing Dynamic Structural Behavior","Crystal Growth & Design","2010","10","6","2801","","10.1021/cg100449z","","","0.71073","MoKα","","0.0579","0.0475","","","0.1403","0.1499","","","","","","1.058","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501789","19.2331","0.0014","7.8223","0.0006","14.476","0.0011","90","","90","","90","","2177.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","3-(N9-adeninyl)propanoic acid.HNO3","6-amino-9-(2-carboxyethyl)-9H-purin-1-ium nitrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C64 H80 N48 O40 -","8","1","","Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep","Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction","Crystal Growth & Design","2010","10","8","3555","","10.1021/cg100470u","","","0.71073","MoKα","","0.0634","0.0438","","","0.1037","0.1363","","","","","","1.115","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501832","8.1449","0.0008","11.5943","0.0011","17.4855","0.0016","90","","90","","90","","1651.2","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H12 N4 -","- C21 H12 N4 -","- C84 H48 N16 -","4","0.5","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0853","0.059","","","0.125","0.1394","","","","","","1.1","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501902","14.3447","0.0007","14.59","0.0006","25.5191","0.0011","90","","90","","90","","5340.9","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H26 Hg N2 O2 S4 -","- C27 H26 Hg N2 O2 S4 -","- C216 H208 Hg8 N16 O16 S32 -","8","1","","Kim, Hyun Jee; Lindoy, Leonard F.; Lee, Shim Sung","Networking of Tribenzo-O2S2-Macrocycles with Mercury Thiocyanate: Effect of Macrocyclic Isomers","Crystal Growth & Design","2010","10","9","3850","","10.1021/cg100687v","","","0.71073","MoKα","","0.0285","0.0229","","","0.0543","0.0576","","","","","","1.091","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501906","15.0433","0.0007","16.9932","0.0006","18.9513","0.0007","90","","90","","90","","4844.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C47 H40 N6 O9 Zn2 -","- C47 H39 N6 O9 Zn2 -","- C188 H156 N24 O36 Zn8 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin","Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands","Crystal Growth & Design","2010","10","11","4795","","10.1021/cg100688z","","","0.71073","MoKα","","0.1564","0.0568","","","0.1422","0.1687","","","","","","0.78","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502070","14.921","0.007","4.993","0.002","20.56","0.01","90","","90","","90","","1531.7","1.2","200.1","","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H16 Cu N8 O3 -","- C12 H16 Cu N8 O3 -","- C48 H64 Cu4 N32 O12 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","","0.039","","","","0.101","","","","","","0.774","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502192","12.519","0.0009","16.131","0.0012","14.1764","0.001","90","","90","","90","","2862.8","0.4","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Cd Fe N4 O7 -","- C28 H30 Cd Fe N4 O7 -","- C112 H120 Cd4 Fe4 N16 O28 -","4","0.5","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.1156","0.0667","","","0.1291","0.1454","","","","","","1.015","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502288","9.5499","0.0019","26.263","0.005","15.567","0.003","90","","90","","90","","3904.3","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C144 H84 Br8 Hg12 N80 O2 -","- C144 H84 Br8 Hg12 N80 O2 -","- C144 H84 Br8 Hg12 N80 O2 -","1","0.125","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.0673","0.054","","","0.1518","0.1615","","","","","","1.056","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502327","19.8574","0.0009","20.9036","0.001","14.9561","0.0007","90","","90","","90","","6208.1","0.5","150","1","150","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H50 B2 F8 Fe N14 O6 -","- C62 H50 B2 F8 Fe N14 O6 -","- C248 H200 B8 F32 Fe4 N56 O24 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0881","0.048","","","0.093","0.1066","","","","","","0.939","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502329","20.313","0.0007","20.8605","0.0008","15.1162","0.0006","90","","90","","90","","6405.3","0.4","150","1","150","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H50 B2 Cd F8 N14 O6 -","- C62 H50 B2 Cd F8 N14 O6 -","- C248 H200 B8 Cd4 F32 N56 O24 -","4","0.5","","Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.","Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand","Crystal Growth & Design","2010","10","1","386","","10.1021/cg901000d","","","0.71073","MoKα","","0.0874","0.066","","","0.1817","0.1966","","","","","","1.048","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502477","16.9242","0.0013","29.187","0.002","10.8676","0.0009","90","","90","","90","","5368.2","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H21 N12 O6 Ru -","- C27 H21 N12 O6 Ru -","- C108 H84 N48 O24 Ru4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Cui, Ying; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-Assisted Solid-State Reaction: Formation of a Three-Dimensional Hydrogen-Bonded Network and Evidence for Proton Induced Electron Transfer","Crystal Growth & Design","2010","10","3","1263","","10.1021/cg901286b","","","0.71073","MoKα","","0.0588","0.0383","","","0.0837","0.0862","","","","","","1.004","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503018","12.8489","0.0002","12.7051","0.0002","9.9736","0.0001","90","","90","","90","","1628.16","0.04","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H8 O15 U2 -","- C10 H2 O15 U2 -","- C40 H8 O60 U8 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0231","0.0158","","","0.0348","0.0377","","","","","","1.087","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503019","33.291","0.007","24.518","0.005","16.748","0.004","90","","90","","90","","13670","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H30 O15 Zn4 -","- C44 H30 O15 Zn4 -","- C352 H240 O120 Zn32 -","8","1","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.1038","0.063","","","0.1632","0.1796","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503122","21.822","0.004","17.499","0.003","29.117","0.006","90","","90","","90","","11119","4","193","2","193","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C102 H88 Cl12 Mn4 N20 Nb6 O16 -","- C102 H88 Cl12 Mn4 N20 Nb6 O16 -","- C408 H352 Cl48 Mn16 N80 Nb24 O64 -","4","0.5","","Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek","Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations","Crystal Growth & Design","2008","8","1","172","","10.1021/cg070532s","","","0.71073","MoKα","","0.0734","0.047","","","0.0913","0.0989","","","","","","1.035","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503153","15.101","0.004","8.02","0.002","36.983","0.01","90","","90","","90","","4479","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H40 Ag2 Cl2 N4 O6 S4 -","- C44 H40 Ag2 Cl2 N4 O6 S4 -","- C176 H160 Ag8 Cl8 N16 O24 S16 -","4","0.5","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.1552","0.1235","","","0.2227","0.2392","","","","","","1.097","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503217","14.638","0.0009","7.605","0.0005","17.2027","0.0013","90","","90","","90","","1915","0.2","173","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Ag N3 O5 -","- C20 H18 Ag N3 O5 -","- C80 H72 Ag4 N12 O20 -","4","0.5","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0412","0.0381","","","0.0947","0.0966","","","","","","1.214","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503225","14.744","0.0012","8.951","0.0007","10.0648","0.0008","90","","90","","90","","1328.29","0.18","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[{2,2'-bipyridine-4,4'-diamine}di(nitro)copper(II)]","","- C10 H10 Cu N6 O6 -","- C10 H10 Cu N6 O6 -","- C40 H40 Cu4 N24 O24 -","4","0.5","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.8464","synchrotron","","0.0506","0.0389","","","0.0939","0.0998","","","","","","1.022","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503302","8.0562","0.0006","23.5228","0.0019","11.5384","0.0009","90","","90","","90","","2186.6","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6-Diphenylfuchsone","2,6-Diphenyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","0.5","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0652","0.0577","","","0.1213","0.1249","","","","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503498","13.0592","0.0008","7.1478","0.0004","17.3911","0.0011","90","","90","","90","","1623.36","0.17","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71073","MoKα","","0.0309","0.0222","","","0.0512","0.0525","","","","","","1.02","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503644","10.877","0.003","7.937","0.003","14.299","0.005","90","","90","","90","","1234.4","0.7","293.15","","293.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C2 H2 Br Cd N3 O0 S -","- C2 H2 Br Cd N3 S -","- C16 H16 Br8 Cd8 N24 S8 -","8","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0297","0.0256","","","0.0672","0.0697","","","","","","1.025","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503645","11.056","0.003","8.26","0.002","14.512","0.004","90","","90","","90","","1325.3","0.6","293.15","","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H2 Cd I N3 S -","- C2 H2 Cd I N3 S -","- C16 H16 Cd8 I8 N24 S8 -","8","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0244","0.0211","","","0.0551","0.0567","","","","","","1.012","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503665","9.1628","0.0009","9.756","0.001","30.271","0.003","90","","90","","90","","2706","0.5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C104 H136 N24 O24 -","8","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.2075","0.1855","","","0.3396","0.3477","","","","","","1.419","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503667","11.3094","0.0004","14.0244","0.0004","8.393","0.0003","90","","90","","90","","1331.19","0.08","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Mttup","","","- C13 H13 N3 S -","- C13 H13 N3 S -","- C52 H52 N12 S4 -","4","0.5","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0656","0.0533","","","0.1431","0.149","","","","","","1.141","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503958","13.369","0.005","15.588","0.005","8.082","0.005","90","0.005","90","0.005","90","0.005","1684.3","1.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 N2 O7.9 Pb -","- C12 H8 N2 O7.9 Pb -","- C48 H32 N8 O31.6 Pb4 -","4","0.5","","Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang","Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels","Crystal Growth & Design","2007","7","3","513","","10.1021/cg060535p","","","0.71069","MoKα","","0.0485","0.025","","","0.0601","0.0685","","","","","","1.037","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504124","10.0172","0.0009","20.938","0.002","8.7611","0.0008","90","","90","","90","","1837.6","0.3","130.15","","130.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 N2 O12 P4 Zn3 -","- C6 H12 N2 O12 P4 Zn3 -","- C24 H48 N8 O48 P16 Zn12 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0554","0.0502","","","0.1084","0.1111","","","","","","1.165","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504196","15.8537","0.0016","16.7071","0.0017","16.6416","0.0017","90","","90","","90","","4407.8","0.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H20 Cl N6 Ni O2 -","- C22 H20 Cl N6 Ni O2 -","- C176 H160 Cl8 N48 Ni8 O16 -","8","1","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0445","0.037","","","0.088","0.0918","","","","","","1.087","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504237","11.242","0.003","16.963","0.004","13.898","0.004","90","","90","","90","","2650.3","1.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H28 Cu3 N4 O17 -","- C18 H28 Cu3 N4 O17 -","- C72 H112 Cu12 N16 O68 -","4","0.5","","Chen, Wen-Xian; Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of a Three-fold Parallel Interpenetration Network and Bilayer Structure Based on Copper(II) and Trimesic Acid","Crystal Growth & Design","2007","7","6","1171","","10.1021/cg070119k","","","0.71073","MoKα","","0.085","0.0789","","","0.1854","0.1899","","","","","","1.134","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504274","25.78","0.004","13.529","0.002","10.874","0.002","90","","90","","90","","3792.6","1.1","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","1,2-Bis(4-pyridyl)ethane - bis-di(4-nitrophenyl) phosphonato zinc complex","","- C36 H28 N6 O16 P2 Zn -","- C36 H24 N6 O16 P2 Zn -","- C144 H96 N24 O64 P8 Zn4 -","4","0.5","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0537","0.0421","","","0.1245","0.1346","","","","","","1.08","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504275","25.742","0.006","13.556","0.003","10.828","0.002","90","","90","","90","","3778.5","1.4","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","1,2-Bis(4-pyridyl)ethene - bis-di(4-nitrophenyl) phosphato zinc complex","","- C36 H26 N6 O16 P2 Zn -","- C36 H24 N6 O16 P2 Zn -","- C144 H96 N24 O64 P8 Zn4 -","4","0.5","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0491","0.0379","","","0.1165","0.1282","","","","","","0.82","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504318","16.212","0.004","18.776","0.005","13.907","0.004","90","","90","","90","","4233","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H16 Cd N6 O10 -","- C11 H16 Cd N6 O10 -","- C88 H128 Cd8 N48 O80 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.1546","0.0748","","","0.1525","0.1784","","","","","","0.984","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504325","16.2045","0.0013","17.6022","0.0014","17.9025","0.0014","90","","90","","90","","5106.4","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H25 N6 O4 Zn -","- C23 H25 N6 O4 Zn -","- C184 H200 N48 O32 Zn8 -","8","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.06","0.043","","","0.1035","0.1131","","","","","","1.044","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504338","9.85","0.002","8.976","0.002","19.99","0.004","90","","90","","90","","1767.4","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8.5 H7 N3 O2 Zn -","- C8.5 H7 N3 O2 Zn -","- C68 H56 N24 O16 Zn8 -","8","1","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties","Crystal Growth & Design","2007","7","10","2009","","10.1021/cg070356n","","","0.71073","MoKα","","0.026","0.0209","","","0.0575","0.0598","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504366","17.8214","0.0007","7.2722","0.0004","17.3881","0.0009","90","","90","","90","","2253.51","0.19","233","2","233","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H26 Cl4 N4 O3 -","- C16 H26 Cl4 N4 O3 -","- C64 H104 Cl16 N16 O12 -","4","0.5","","Solchinger, Alexander; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Supramolecular Stabilization of Hemiacetals ofN-Alkyl(Benz)Imidazole Aldehydes","Crystal Growth & Design","2007","7","12","2380","","10.1021/cg070377h","","","0.71073","MoKα","","0.0682","0.0509","","","0.1293","0.14","","","","","","1.061","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504424","26.78","0.001","8.5173","0.0004","29.317","0.001","90","","90","","90","","6687","0.5","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C43 H40 O5 -","- C43 H40 O5 -","- C344 H320 O40 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1476","0.0788","","","0.1776","0.2073","","","","","","1.004","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504425","27.6777","0.0005","8.3899","0.0002","29.483","0.0007","90","","90","","90","","6846.3","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C44 H42 O5 -","- C44 H42 O5 -","- C352 H336 O40 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1058","0.04","","","0.0646","0.0783","","","","","","1.004","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504495","18.17","0.007","13.24","0.005","19.064","0.007","90","","90","","90","","4586","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.1259","0.0494","","","0.0816","0.104","","","","","","1.02","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504636","9.3582","0.0019","10.953","0.002","24.37","0.005","90","","90","","90","","2497.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co N O6 -","- C9 H7 Co N O6 -","- C72 H56 Co8 N8 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0595","0.0454","","","0.1347","0.1396","","","","","","0.994","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504638","9.3525","0.0019","10.917","0.002","24.175","0.005","90","","90","","90","","2468.3","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co0.3 N Ni0.7 O6 -","- C9 H7 Co0.3 N Ni0.7 O6 -","- C72 H56 Co2.4 N8 Ni5.6 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0712","0.0566","","","0.1521","0.1587","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505023","23.387","0.001","6.654","0.001","10.007","0.001","90","","90","","90","","1557.3","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C64 H104 N8 O16 -","8","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.5418","CUkα","","0.0612","0.0526","","","0.1399","0.1488","","","","","","1.076","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505053","6.7947","0.0002","11.6963","0.0002","19.9102","0.0003","90","","90","","90","","1582.32","0.06","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 B2 Ge3 N2 O11 -","- C6 H18 B2 Ge3 N2 O11 -","- C24 H72 B8 Ge12 N8 O44 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.0397","0.0374","","","0.0836","0.0847","","","","","","1.167","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505054","6.8736","0.0002","11.7423","0.0003","27.6476","0.0002","90","","90","","90","","2231.49","0.09","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H31 B2 Ge3 N4 O12.5 -","- C10 H20 B2 Ge3 N4 O12.5 -","- C40 H80 B8 Ge12 N16 O50 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.038","0.0357","","","0.0856","0.0871","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505105","34.238","0.013","12.321","0.005","15.762","0.006","90","","90","","90","","6649","4","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H32 N4 O4 -","- C39 H32 N4 O4 -","- C312 H256 N32 O32 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0896","0.0566","","","0.1165","0.1288","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505158","25.53","0.004","14.088","0.002","11.9203","0.0019","90","","90","","90","","4287.3","1.1","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C18 H26 Cl2 N6 O6 S2 -","- C72 H104 Cl8 N24 O24 S8 -","4","0.5","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.154","0.0797","","","0.1964","0.2237","","","","","","1.01","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505159","25.574","0.005","14.097","0.003","11.77","0.002","90","","90","","90","","4243.3","1.4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C10.2857 H14.8571 Cl1.14286 N3.42857 O3.42857 S1.14286 -","- C72 H104 Cl8 N24 O24 S8 -","7","0.875","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.1811","0.0932","","","0.1973","0.2313","","","","","","1.038","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505323","39.852","0.004","38.196","0.004","15.095","0.002","90","","90","","90","","22977","5","90","1","90","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H124 N12 O18 -","- C128 H88 N12 O18 -","- C1024 H704 N96 O144 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.3401","0.1465","","","0.3878","0.4787","","","","","","1.171","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505416","29.4481","0.0009","12.3608","0.0004","12.3821","0.0003","90","","90","","90","","4507.1","0.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Mn2 N14 O3 -","- C16 H12 Mn2 N14 O3 -","- C128 H96 Mn16 N112 O24 -","8","1","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0815","0.0598","","","0.1253","0.131","","","","","","1.262","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505596","16.8","0.0014","11.522","0.003","20.36","0.002","90","","90","0.002","90","","3941.1","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C184 H8 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","1","0.125","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1069","0.0737","","","0.1975","0.243","","","","","","0.976","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505599","17.286","0.004","11.384","0.002","19.414","0.004","90","","90","","90","","3820.4","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H15 N4 O4 Zn -","- C23 H15 N4 O4 Zn -","- C184 H120 N32 O32 Zn8 -","8","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1061","0.0914","","","0.1959","0.2159","","","","","","1.315","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505842","13.0232","0.0005","23.4426","0.0007","33.1664","0.0012","90","","90","","90","","10125.6","0.6","150","","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 Fe1.5 N3 O10 -","- C56 H57 Fe1.5 N3 O10 -","- C448 H456 Fe12 N24 O80 -","8","1","","Shin, Dong Mok; Chung, Young Keun; Lee, In Su","Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids","Crystal Growth & Design","2002","2","6","493","","10.1021/cg025573x","","","0.71073","MoKα","","0.1877","0.0962","","","0.222","0.2875","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505878","15.734","0.0005","10.6914","0.0004","23.326","0.0008","90","","90","","90","","3923.9","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 Er2 N3 O18 -","- C40 H36 Er2 N3 O18 -","- C160 H144 Er8 N12 O72 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0304","0.0232","","","0.0554","0.0587","","","","","","1.048","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505879","15.6958","0.0005","10.6984","0.0003","23.2644","0.0007","90","","90","","90","","3906.6","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Tm2 -","- C40 H36 N3 O18 Tm2 -","- C160 H144 N12 O72 Tm8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0255","0.0207","","","0.0471","0.0491","","","","","","1.026","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505880","15.6733","0.0005","10.7028","0.0003","23.2631","0.0007","90","","90","","90","","3902.3","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Yb2 -","- C40 H36 N3 O18 Yb2 -","- C160 H144 N12 O72 Yb8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0237","0.0192","","","0.0435","0.0453","","","","","","1.032","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4506014","13.345","0.004","14.624","0.004","10.661","0.003","90","","90","","90","","2080.6","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0352","0.0319","","","0.0776","0.0795","","","","","","1.122","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506174","16.33","0.003","23.484","0.004","14.805","0.002","90","","90","","90","","5677.6","1.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H49.5 Cu6 N16 O12 -","- C44.92 H42.24 Cu6 N16 O11.8 -","- C179.68 H168.96 Cu24 N64 O47.2 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Guedes da Silva, M. Fátima C.; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Pombeiro, Armando J. L.","New Coordination Polymers and Porous Supramolecular Metal Organic Network Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bypiridine. 1°","Crystal Growth & Design","2012","12","6","2890","","10.1021/cg300080a","","","0.71073","MoKα","","0.0982","0.0661","","","0.111","0.1228","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506478","20.5488","0.0008","8.7943","0.0004","22.5893","0.0009","90","","90","","90","","4082.2","0.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C176 H184 N24 O40 -","8","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1046","0.0496","","","0.1284","0.1505","","","","","","0.953","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506569","19.533","0.002","8.3503","0.0009","19.621","0.002","90","","90","","90","","3200.3","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 Fe N10 O -","- C36 H26 Fe N10 O -","- C144 H104 Fe4 N40 O4 -","4","0.5","","Zhang, Xiu-Tang; Sun, Di; Li, Bao; Fan, Li-Ming; Li, Bin; Wei, Pei-Hai","Unusual High Thermal Stablility of a 2D →3D Polycatenated Fe(II) Metal‒Organic Framework Showing Guest-Dependent Spin-Crossover Behavior and High Spin-Transition Temperature","Crystal Growth & Design","2012","12","8","3845","","10.1021/cg3007876","","","0.71073","MoKα","","0.0671","0.0548","","","0.1468","0.1572","","","","","","1.082","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506814","11.9045","0.0007","17.2799","0.0011","12.1947","0.0007","90","","90","","90","","2508.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H28 Hg N2 O10 S2 -","- C22 H28 Hg N2 O10 S2 -","- C88 H112 Hg4 N8 O40 S8 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0433","0.0353","","","0.0916","0.1002","","","","","","1.077","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4507002","6.0525","0.0008","11.1914","0.0015","27.389","0.004","90","","90","","90","","1855.2","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0842","0.0662","","","0.1794","0.1939","","","","","","1.036","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507285","6.2857","0.0019","12.624","0.004","32.881","0.01","90","","90","","90","","2609.1","1.4","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0468","0.0395","","","0.1023","0.1074","","","","","","1.041","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507633","29.814","0.002","13.0074","0.0009","19.1298","0.0012","90","","90","","90","","7418.6","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H34 Cd N4 O7 -","- C41 H34 Cd N4 O7 -","- C328 H272 Cd8 N32 O56 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0672","0.0447","","","0.1267","0.1341","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507634","30.546","0.002","12.7113","0.0008","17.9776","0.0012","90","","90","","90","","6980.3","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H32 N4 O6 Zn -","- C41 H32 N4 O6 Zn -","- C328 H256 N32 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0737","0.0494","","","0.1354","0.1538","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507962","10.9568","0.0007","17.7717","0.0012","22.2155","0.0015","90","","90","","90","","4325.8","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H50 Cu3 N4 O23 -","- C38 H46 Cu3 N4 O23 -","- C152 H184 Cu12 N16 O92 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0555","0.0477","","","0.1207","0.124","","","","","","1.237","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508123","16.407","0.0008","22.5138","0.0015","30.5117","0.0019","90","","90","","90","","11270.5","1.2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H28 F12 N4 O12 Zn2 -","- C58 H28 F12 N4 O12 Zn2 -","- C232 H112 F48 N16 O48 Zn8 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1465","0.0947","","","0.2635","0.3007","","","","","","0.971","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508323","30.8147","0.0005","19.4575","0.0003","17.468","0.0003","90","","90","","90","","10473.4","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C111 H110 O42 Rb4 -","- C111 H106 O42 Rb4 -","- C444 H424 O168 Rb16 -","4","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1717","0.0773","","","0.1597","0.1877","","","","","","1.078","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508413","27.09","0.003","9.0376","0.0009","31.579","0.003","90","","90","","90","","7731.4","1.4","273","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C304 H352 O80 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.2235","0.1222","","","0.2899","0.3324","","","","","","1.083","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508500","12.3961","0.0006","21.0059","0.0011","22.8699","0.0011","90","","90","","90","","5955.1","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C68 H52 Cu2 N8 O13 -","- C68 H52 Cu2 N8 O13 -","- C272 H208 Cu8 N32 O52 -","4","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0588","0.0437","","","0.124","0.141","","","","","","1.048","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508511","12.0576","0.0009","18.7488","0.0011","18.9159","0.0014","90","","90","","90","","4276.2","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H52 F2 O5 S -","- C48 H52 F2 O5 S -","- C192 H208 F8 O20 S4 -","4","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0747","0.0508","","","0.0776","0.0851","","","","","","1.183","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508646","6.4953","0.0013","20.559","0.004","9.1747","0.0018","90","","90","","90","","1225.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Ag2 O4 -","- C14 H8 Ag2 O4 -","- C56 H32 Ag8 O16 -","4","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0464","0.0437","","","0.1861","0.1925","","","","","","1.238","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508670","15.27","0.008","11.071","0.006","7.703","0.004","90","","90","","90","","1302.2","1.2","213","2","213","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C6 H5 I -","- C6 H5 I -","- C48 H40 I8 -","8","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0805","0.066","","","0.1666","0.1747","","","","","","1.106","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4509076","11.229","0.002","13.05","0.003","31.854","0.006","90","","90","","90","","4667.8","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H18 Cl2 Cu N7 O4 -","- C21 H18 Cl2 Cu N7 O4 -","- C168 H144 Cl16 Cu8 N56 O32 -","8","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.1724","0.0548","","","0.057","0.0731","","","","","","0.911","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509245","18.3435","0.0005","6.7923","0.0002","26.7611","0.0006","90","","90","","90","","3334.29","0.15","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H20 N2 Ni O3.5 -","- C17.5 H20 N2 Ni O3.5 -","- C140 H160 N16 Ni8 O28 -","8","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0427","0.0278","","","0.0579","0.0636","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509397","31.71","0.003","7.8001","0.0009","20.153","0.002","90","","90","","90","","4984.7","0.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H42 Cl4 N18 O9 Zn2 -","- C45 H42 Cl4 N18 O9 Zn2 -","- C180 H168 Cl16 N72 O36 Zn8 -","4","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0362","0.0293","","","0.0723","0.0755","","","","","","1.03","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509509","6.4276","0.0007","15.9365","0.0016","15.5925","0.0016","90","","90","","90","","1597.2","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4-bipyrazolium octachlorodirhenate(III)","","- C6 H8 Cl8 N4 Re2 -","- C6 H8 Cl8 N4 Re2 -","- C24 H32 Cl32 N16 Re8 -","4","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0239","0.0208","","","0.0489","0.0496","","","","","","1.178","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509784","13.2089","0.0011","16.6608","0.0014","8.2977","0.0007","90","","90","","90","","1826.1","0.3","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H20 Cu I2 N6 O -","- C8 H20 Cu I2 N6 O -","- C32 H80 Cu4 I8 N24 O4 -","4","0.5","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0343","0.0294","","","0.0859","0.0897","","","","","","1.152","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509845","19.0814","0.0017","10.8848","0.0009","15.6495","0.0014","90","","90","","90","","3250.4","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H32 O6 P2 Ru -","- C39 H32 O6 P2 Ru -","- C156 H128 O24 P8 Ru4 -","4","0.5","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0564","0.0354","","","0.0694","0.073","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509930","21.612","0.005","9.698","0.005","26.478","0.005","90","","90","","90","","5550","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H36 O4 Ru2 Sn -","- C30 H36 O4 Ru2 Sn -","- C240 H288 O32 Ru16 Sn8 -","8","1","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0626","0.0451","","","0.0995","0.1099","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510127","22.389","0.003","8.2386","0.0011","16.762","0.014","90","","90","","90","","3092","3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H21 N4 O2 -","- C14 H21 N4 O2 -","- C112 H168 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.1231","0.0678","","","0.1808","0.2178","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510192","12.7337","0.0004","12.5615","0.0003","17.8737","0.0005","90","","90","","90","","2858.98","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C88 H88 N8 O56 S8 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0313","0.0224","","","0.051","0.053","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510500","20.6245","0.0007","16.1559","0.0003","16.2561","0.0006","90","","90","","90","","5416.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H27 N2 O8.75 U -","- C23 H27 N2 O8.75 U -","- C184 H216 N16 O70 U8 -","8","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.048","0.0319","","","0.0818","0.0874","","","","","","0.994","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510796","15.366","0.0009","17.267","0.001","9.884","0.0006","90","","90","","90","","2622.5","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H3 Ag3 F6 N3 O4 -","- C7 H3 Ag3 F6 N3 O4 -","- C56 H24 Ag24 F48 N24 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0456","0.0418","","","0.1117","0.1163","","","","","","0.983","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4511024","11.286","0.003","9.1194","0.0017","11.107","0.003","90","","90","","90","","1143.1","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 O10 Sr -","- C8 H12 O10 Sr -","- C32 H48 O40 Sr4 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong","Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.","ACS applied materials & interfaces","2009","1","1","35","38","10.1021/am800030h","","","0.71073","MoKα","","0.0314","0.0254","","","0.066","0.0684","","","","","","1.073","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511051","6.8385","0.0012","15.397","0.003","21.537","0.004","90","","90","","90","","2267.7","0.7","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H14 Cu3 N6 -","- C24 H14 Cu3 N6 -","- C96 H56 Cu12 N24 -","4","0.5","","Liu, Can; Ding, You-Bang; Shi, Xu-Hua; Zhang, Dan; Hu, Mei-Hong; Yin, Ye-Gao; Li, Dan","Interpenetrating Metal−Organic Frameworks Assembled from Polypyridine Ligands and Cyanocuprate Catenations","Crystal Growth & Design","2009","9","3","1275","","10.1021/cg801217j","","","0.71073","MoKα","","0.1176","0.0605","","","0.129","0.1521","","","","","","1.022","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511064","20.033","0.005","13.645","0.003","13.199","0.003","90","","90","","90","","3608","1.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cd N3 O6 -","- C10 H9 Cd N3 O6 -","- C80 H72 Cd8 N24 O48 -","8","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0975","0.087","","","0.1631","0.1683","","","","","","1","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511444","22.552","0.0009","12.9259","0.0004","7.2463","0.0002","90","","90","","90","","2112.33","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,5-bis(2-hydroxyethoxy)-1,4-bis(phenylethynyl)benzene","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","0.5","","Sanyal, Nibedita; Lahti, Paul M.","Hydrogen-Bond-Assisted, Crossed Dipole π-Stacking in 1,4-Bis(phenylethynyl)benzene","Crystal Growth & Design","2006","6","6","1253","","10.1021/cg060019z","","","0.71073","MoKα","","0.1942","0.1194","","","0.1455","0.1639","","","","","","1.245","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511497","20.2499","0.0007","12.9941","0.0004","28.9782","0.001","90","","90","","90","","7625","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H42 Ag5 I7 N2 -","- C18 H42 Ag5 I7 N2 -","- C144 H336 Ag40 I56 N16 -","8","1","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0806","0.0337","","","0.0729","0.0785","","","","","","0.739","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511503","18.567","0.004","9.934","0.002","30.764","0.006","90","","90","","90","","5674","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H55 Cl2 Cu N11 O20 -","- C52 H44 Cl2 Cu N11 O18 -","- C208 H176 Cl8 Cu4 N44 O72 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.1452","0.0839","","","0.1669","0.2002","","","","","","1.042","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511635","14.167","0.0005","18.6643","0.0007","16.8236","0.0003","90","","90","","90","","4448.4","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H56 O28 U3 -","- C30 H56 O28 U3 -","- C120 H224 O112 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0442","0.0286","","","0.0611","0.0646","","","","","","1.021","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511636","14.881","0.0013","18.0065","0.0015","17.2267","0.0008","90","","90","","90","","4616","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 N4 Ni O22 U2 -","- C38 H46 N4 Ni O22 U2 -","- C152 H184 N16 Ni4 O88 U8 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0774","0.0482","","","0.1042","0.113","","","","","","1.041","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511700","9.5274","0.0002","7.1161","0.0002","26.9956","0.0006","90","","90","","90","","1830.25","0.08","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd2 Cl4 N2 O2 -","- C12 H14 Cd2 Cl4 N2 O2 -","- C48 H56 Cd8 Cl16 N8 O8 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0198","0.0188","","","0.0452","0.0457","","","","","","1.089","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511728","14.2242","0.0007","5.7666","0.0003","34.8348","0.0016","90","","90","","90","","2857.3","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-1-(4-Chlorophenyl)-5-(4-methylphenylpent)-2-en-4-yn-1-one","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0692","0.0554","","","0.1313","0.1428","","","","","","0.998","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511758","11.3246","0.0001","11.4255","0.0004","4.8816","0.0003","90","","90","","90","","631.63","0.05","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","potassium metaarsenate, gamma","","","- As K O3 -","- As K O3 -","- As8 K8 O24 -","8","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0332","0.0257","","","0.0441","0.0445","","","","3.04","3.04","2.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511941","9.60049","0.00012","9.03411","0.00012","11.17851","0.00015","90","","90","","90","","969.53","0.02","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 In N O8 -","- C8 In N O8 -","- C32 In4 N4 O32 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.0355","1.144","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512137","24.542","0.004","12.641","0.002","15.446","0.003","90","","90","","90","","4791.9","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H41 Cd2 N7 O18 -","- C39 H40.9 Cd2 N7 O17.9 -","- C156 H163.6 Cd8 N28 O71.6 -","4","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.079","0.0587","","","0.1642","0.1795","","","","","","1.038","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512140","24.641","0.004","12.468","0.002","15.427","0.002","90","","90","","90","","4739.5","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H86 Cd4 N12 O45 -","- C72 H86 Cd4 N12 O45 -","- C144 H172 Cd8 N24 O90 -","2","0.25","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0933","0.0532","","","0.1205","0.1409","","","","","","1.037","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512332","33.9859","0.0006","7.2091","0.0001","12.3233","0.0002","90","","90","","90","","3019.3","0.08","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H16 Cl N O4 -","- C17.5 H16 Cl N O4 -","- C140 H128 Cl8 N8 O32 -","8","1","","Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han","Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins","Crystal Growth & Design","2014","14","12","6613","","10.1021/cg501567s","","","0.71073","MoKα","","0.0773","0.0451","","","0.1126","0.1308","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512397","19.8176","0.0013","11.1889","0.0007","14.1296","0.0013","90","","90","","90","","3133.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H26 Hg2 N4 O3 S6 -","- C25 H26 Hg2 N4 O3 S6 -","- C100 H104 Hg8 N16 O12 S24 -","4","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0931","0.0427","","","0.0922","0.1132","","","","","","1.005","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512404","28.5893","0.001","41.9618","0.0015","12.0642","0.0004","90","","90","","90","","14472.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H82 Cd N10 O8 -","- C56 H42 Cd N6 O2 -","- C448 H336 Cd8 N48 O16 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.0728","0.0448","","","0.1263","0.1318","","","","","","0.952","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4512479","16.4997","0.0008","17.2919","0.0008","18.0359","0.0009","90","","90","","90","","5145.8","0.4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 N6 Ni O16 S2 U2 -","- C50 H28 N6 Ni O16 S2 U2 -","- C200 H112 N24 Ni4 O64 S8 U8 -","4","0.5","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0737","0.0337","","","0.0741","0.0864","","","","","","0.975","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512536","12.411","0.0011","19.5709","0.0017","15.6611","0.0013","90","","90","","90","","3804","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Cu N6 O8 -","- C36 H20 Cu N6 O8 -","- C144 H80 Cu4 N24 O32 -","4","0.5","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.1341","0.0919","","","0.2599","0.2763","","","","","","1.082","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512543","35.434","0.0011","13.446","0.0004","23.5802","0.0008","90","","90","","90","","11234.7","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H86.4 Cu6 N25.6 O14 -","- C90 H86.4 Cu6 N25.6 O14 -","- C360 H345.6 Cu24 N102.4 O56 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1392","0.0912","","","0.2299","0.2649","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512710","11.7865","0.0019","16.716","0.003","52.892","0.008","90","","90","","90","","10421","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H42 Cd3 N5 O14 -","- C52 H42 Cd3 N5 O14 -","- C416 H336 Cd24 N40 O112 -","8","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.078","0.0689","","","0.1505","0.1549","","","","","","1.046","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512729","20.9435","0.0003","12.7617","0.0002","23.7998","0.0004","90","","90","","90","","6361.08","0.17","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H28 Mn N10 S2 -","- C30 H28 Mn N10 S2 -","- C240 H224 Mn8 N80 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0555","0.0402","","","0.0957","0.1047","","","","","","1.053","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512859","39.469","0.005","12.6053","0.0017","11.4425","0.0015","90","","90","","90","","5692.9","1.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H31 Co N3 O8 S2 -","- C27 H18 Co N2 O5 S2 -","- C216 H144 Co8 N16 O40 S16 -","8","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0988","0.076","","","0.1575","0.1657","","","","","","1.114","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512869","11.545","0.003","14.082","0.004","23.811","0.006","90","","90","","90","","3871.1","1.8","100","2","100","2","","","","","","","synthetic","3","P b c n","-P 2n 2ab","60","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl","","- C48 H50 O4 -","- C48 H50 O4 -","- C192 H200 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.0945","0.0618","","","0.155","0.1886","","","","","","1.09","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512905","12.4943","0.0005","9.844","0.0004","26.5445","0.0013","90","","90","","90","","3264.8","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0935","0.0584","","","0.1272","0.1456","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512906","12.812","0.0013","9.9314","0.0013","27.185","0.003","90","","90","","90","","3459","0.7","420","1","420","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0865","0.05","","","0.1278","0.1527","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512907","13.5295","0.0006","9.0467","0.0003","26.8082","0.001","90","","90","","90","","3281.3","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0707","0.0468","","","0.11","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512970","11.8471","0.0002","18.1104","0.0003","17.8499","0.0003","90","","90","","90","","3829.8","0.11","134.99","0.1","134.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H13 N5 O5 Zn -","- C20 H13 N5 O5 Zn -","- C160 H104 N40 O40 Zn8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","1.54184","CuKα","","0.088","0.082","","","0.242","0.2505","","","","","","1.048","","","","has coordinates,has disorder","138047","2020-10-21","18:00:00",""
"4513178","18.949","0.0013","10.3422","0.0007","17.9428","0.0012","90","","90","","90","","3516.3","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis carbon tetrachloride tetrakis-(4-iodophenyl)ethylene","","- C28 H16 Cl8 I4 -","- C28 H16 Cl8 I4 -","- C112 H64 Cl32 I16 -","4","0.5","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0506","0.031","","","0.0589","0.0668","","","","","","1.007","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513208","13.593","0.0001","15.407","0.0002","30.6","0.0001","90","","90","","90","","6408.48","0.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H15 N2 O4 S Zn -","- C14 H15 N2 O4 S Zn -","- C224 H240 N32 O64 S16 Zn16 -","16","2","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","x-ray","0.71073","MoKα","","0.0454","0.035","","","0.0838","0.0888","","","","","","1.042","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513484","13.2887","0.0004","12.705","0.0004","21.5048","0.0005","90","","90","","90","","3630.72","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H23 Cl Li N3 O3 -","- C17 H23 Cl Li N3 O3 -","- C136 H184 Cl8 Li8 N24 O24 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0445","0.0279","","","0.0686","0.0711","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513877","10.7239","0.0003","15.3597","0.0003","17.7316","0.0003","90","","90","","90","","2920.68","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H6 N0 O10 P Zn2 -","- C16 H6 O10 P Zn2 -","- C64 H24 O40 P4 Zn8 -","4","0.5","","Li, Lan; Wang, Xusheng; Liang, Jun; Huang, Yuanbiao; Li, Hongfang; Lin, Zujin; Cao, Rong","Water-Stable Anionic Metal-Organic Framework for Highly Selective Separation of Methane from Natural Gas and Pyrolysis Gas.","ACS applied materials & interfaces","2016","8","15","9777","9781","10.1021/acsami.6b00706","","","1.54184","CuKα","","0.0398","0.0324","","","0.0831","0.0861","","","","","","1.063","","","","has coordinates","182453","2020-10-21","18:00:00",""
"4513887","11.5615","0.0019","11.966","0.003","21.75","0.005","90","","90","","90","","3009","1.1","294","2","294","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position","ACS Catalysis","2016","6","7","4248","","10.1021/acscatal.6b00678","","x-ray","0.71073","MoKα","","0.073","0.0406","","","0.0956","0.1134","","","","","","1.012","","","","has coordinates","184923","2020-10-21","18:00:00",""
"4514070","15.083","0.002","14.7314","0.0019","26.284","0.004","90","","90","","90","","5840.1","1.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H29 F3 N O -","- C38 H29 F3 N O -","- C304 H232 F24 N8 O8 -","8","1","","Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi","Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00265","","","0.71075","MoKα","","0.0618","0.0489","","","0.1163","0.1188","","","","","","0.913","","","","has coordinates","194429","2020-10-21","18:00:00",""
"4514073","17.1283","0.0011","9.2992","0.0004","18.9173","0.0005","90","","90","","90","","3013.1","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H27 N5 O2 -","- C38 H27 N5 O2 -","- C152 H108 N20 O8 -","4","0.5","","Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping","Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00262","","x-ray","1.54184","CuKα","","0.0494","0.04","","","0.1056","0.1147","","","","","","1.037","","","","has coordinates","194482","2020-10-21","18:00:00",""
"4514119","16.4786","0.0007","7.779","0.0004","28.3488","0.0015","90","","90","","90","","3633.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C152 H176 N16 O32 S8 -","8","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.71073","MoKα","","0.0673","0.0415","","","0.0881","0.0992","","","","","","1.018","","","","has coordinates","197389","2020-10-21","18:00:00",""
"4514220","39.6323","0.0016","11.1626","0.0004","19.9766","0.0008","90","","90","","90","","8837.6","0.6","273","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H30 F8 Ni O P2 -","- C48 H30 F8 Ni O P2 -","- C384 H240 F64 Ni8 O8 P16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","1.54178","CuKα","","0.048","0.0436","","","0.1305","0.1356","","","","","","1.023","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4515301","16.155","0.0009","15.9078","0.0007","44.217","0.003","90","","90","","90","","11363.3","1.1","172.6","","172.6","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C81 H60 Co4 N8 O24 -","- C81 H60 Co4 N8 O24 -","- C324 H240 Co16 N32 O96 -","4","0.5","","Duan, Jingui; Yan, Rui; Qin, Linlin; Wang, Yong; Wen, Lili; Cheng, Shaoxiao; Xu, Hui; Feng, Pingyun","Highly Selective Gaseous and Liquid-Phase Separation over a Novel Cobalt(II) Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","27","23009","23017","10.1021/acsami.8b02714","","","0.71073","MoKα","","0.0972","0.0634","","","0.1639","0.182","","","","","","1.03","","","","has coordinates","225468","2020-10-21","18:00:00",""
"4515363","16.95","0.003","42.69","0.009","33.423","0.007","90","","90","","90","","24185","8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H59 Cd3 N O15 -","- C84 H55 Cd3 N O15 -","- C672 H440 Cd24 N8 O120 -","8","1","","Eom, Sunhwi; Lee, Han Geul; Kang, Dong Won; Kang, Minjung; Kim, Hyojin; Kim, Youngseo; Park, Sungnam; Moon, Dohyun; Hong, Chang Seop","Discriminative Molecular Detection Based on Competitive Absorption by a Luminescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","47","40372","40377","10.1021/acsami.8b16926","","","0.7","synchrotron","","0.1091","0.075","","","0.2259","0.2422","","","","","","1.008","","","","has coordinates,has disorder","225516","2020-10-21","18:00:00",""
"4515613","6.3191","0.0003","15.8114","0.0008","21.7404","0.0011","90","","90","","90","","2172.17","0.19","302","2","302","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C96 H64 Cl16 O16 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0446","0.0389","","","0.1118","0.118","","","","","","1.108","","","","has coordinates","225757","2020-10-21","18:00:00",""
"4515866","11.8035","0.0016","15.125","0.002","28.887","0.004","90","","90","","90","","5157.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C196 H240 Br8 Cl8 N32 O16 Pt8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.1171","0.0637","","","0.1439","0.1692","","","","","","1.081","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4516092","25.524","0.005","13.835","0.003","9.914","0.002","90","","90","","90","","3500.9","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C168 H184 N24 O8 -","8","1","","Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng","Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies.","ACS omega","2018","3","9","10471","10480","10.1021/acsomega.8b01483","","","0.71073","MoKα","","0.0644","0.053","","","0.1353","0.144","","","","","","1.035","","","","has coordinates","226105","2020-10-21","18:00:00",""
"4516131","24.6695","0.0014","18.6531","0.001","20.3858","0.0011","90","","90","","90","","9380.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate","","","- C32 H63 Cl3 Cu2 N11 O12.5 -","- C32 H62 Cl3 Cu2 N11 O12.5 -","- C256 H496 Cl24 Cu16 N88 O100 -","8","1","","Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco","Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.","ACS omega","2018","3","11","15692","15701","10.1021/acsomega.8b01710","","","0.7107","MoKα","","0.0966","0.0777","","","0.2285","0.2609","","","","","","1.034","","","","has coordinates,has disorder","226132","2020-10-21","18:00:00",""
"4516496","18.6134","0.0003","10.6685","0.0002","23.1955","0.0004","90","","90","","90","","4606.09","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C124 H144 Cl8 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0568","0.0454","","","0.1191","0.128","","","","","","1.094","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516497","18.5914","0.0003","10.5881","0.0002","23.0469","0.0004","90","","90","","90","","4536.73","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C124 H156 Cl12 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0429","0.029","","","0.0539","0.0582","","","","","","1.029","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516673","30.0446","0.0006","11.56203","0.00018","24.6258","0.0004","90","","90","","90","","8554.4","0.3","122.99","0.16","122.99","0.16","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C376 H280 B8 Cl16 Cu8 F32 N32 O24 P8 -","8","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54178","CuKα","","0.0597","0.0461","","","0.1099","0.118","","","","","","1.034","","","","has coordinates,has disorder","239442","2020-10-21","18:00:00",""
"4516711","24.0256","0.0005","13.1262","0.0003","22.3213","0.0006","90","","90","","90","","7039.4","0.3","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Fe N4 O3 -","- C40 H46 Fe N4 O3 -","- C320 H368 Fe8 N32 O24 -","8","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","0.71073","MoKα","","0.0631","0.046","","","0.103","0.1099","","","","","","1.08","","","","has coordinates","239478","2020-10-21","18:00:00",""
"4516860","22.9275","0.0011","10.705","0.0004","30.4859","0.001","90","","90","","90","","7482.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H88 Cu4 N8 Na3 O30 P -","- C62 H58 Cu4 N8 Na3 O30 P -","- C248 H232 Cu16 N32 Na12 O120 P4 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.1093","0.0722","","","0.175","0.1977","","","","","","1.061","","","","has coordinates,has disorder","239599","2020-10-21","18:00:00",""
"4516861","23.4332","0.0006","10.3864","0.0003","30.7434","0.0009","90","","90","","90","","7482.5","0.4","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H92.3 As Cu4 K2 N8 O31.67 -","- C62 H58 As Cu4 K2 N8 O31.67 -","- C248 H232 As4 Cu16 K8 N32 O126.68 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.0538","0.0479","","","0.1321","0.1364","","","","","","1.109","","","","has coordinates,has disorder","239600","2020-10-21","18:00:00",""
"4517261","15.5811","0.0003","9.7851","0.0002","30.4229","0.0005","90","","90","","90","","4638.36","0.15","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","","- C32 H54 N22 O6 S5 -","- C32 H54 N22 O6 S5 -","- C128 H216 N88 O24 S20 -","4","0.5","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0604","0.0595","","","0.1524","0.153","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","245520","2020-10-21","18:00:00",""
"4517393","18.6751","0.0008","11.9733","0.0005","21.1751","0.0015","90","","90","","90","","4734.8","0.4","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H22 I N6 O3 Zn -","- C15 H22 I N6 O3 Zn -","- C120 H176 I8 N48 O24 Zn8 -","8","1","","Chen, Yu; Orr, Asuka A.; Tao, Kai; Wang, Zhibin; Ruggiero, Antonella; Shimon, Linda J. W.; Schnaider, Lee; Goodall, Alicia; Rencus-Lazar, Sigal; Gilead, Sharon; Slutsky, Inna; Tamamis, Phanourios; Tan, Zhan'ao; Gazit, Ehud","High-Efficiency Fluorescence through Bioinspired Supramolecular Self-Assembly.","ACS nano","2020","","","","","10.1021/acsnano.9b10024","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","247981","2020-10-21","18:00:00",""
"4517832","22.1414","0.0016","11.2865","0.0009","17.5402","0.0014","90","","90","","90","","4383.3","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H36 Fe N Si -","- C21 H36 Fe N Si -","- C168 H288 Fe8 N8 Si8 -","8","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.1522","0.1452","","","0.3275","0.3304","","","","","","1.294","","","","has coordinates","253632","2020-10-21","18:00:00",""
"4518111","16.6845","0.0004","6.2599","0.0002","21.2252","0.0005","90","","90","","90","","2216.83","0.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 F4 N -","- C12 H13 F4 N -","- C96 H104 F32 N8 -","8","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0487","0.0414","","","0.1105","0.1157","","","","","","1.029","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518117","16.4435","0.0008","25.9075","0.0014","14.3563","0.0007","90","","90","","90","","6115.9","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H26 Mn N5 O6 -","- C30 H26 Mn N5 O6 -","- C240 H208 Mn8 N40 O48 -","8","1","","Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.","Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13094","","","0.71073","MoKα","","0.0775","0.0495","","","0.1291","0.1516","","","","","","1.087","","","","has coordinates","258176","2020-10-21","18:00:00",""
"4518224","17.8975","0.0013","11.9162","0.0008","41.526","0.003","90","","90","","90","","8856.3","1.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2E)-N-cyclohexyl-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C24 H25 N3 O3 S -","- C23.115 H23.3775 N3 O3 S -","- C369.84 H374.04 N48 O48 S16 -","16","2","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.1318","0.064","","","0.1427","0.1747","","","","","","1.023","","","","has coordinates,has disorder","259506","2020-12-04","02:13:46",""
"4518476","9.8509","0.0003","22.6483","0.0007","12.9093","0.0003","90","","90","","90","","2880.14","0.14","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0529","0.0419","","","0.12","0.1283","","","","","","1.091","","","","has coordinates","261419","2021-02-03","20:29:45",""
"4519305","26.2423","0.001","15.2953","0.0004","7.4169","0.0002","90","","90","","90","","2977.02","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.0639","0.0544","","","0.1354","0.1431","","","","","","1.087","","","","has coordinates,has disorder","272476","2022-02-03","20:45:08",""
"4519359","14.8518","0.0004","15.7023","0.0005","25.8545","0.0007","90","","90","","90","","6029.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32.25 H30.5 Cl0.5 N2 O3 -","- C32.25 H30.5 Cl0.5 N2 O3 -","- C258 H244 Cl4 N16 O24 -","8","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0823","0.0664","","","0.186","0.1995","","","","","","1.044","","","","has coordinates","273266","2022-03-03","21:14:48",""
"4519405","18.48","0.0004","16.1182","0.0003","33.0678","0.0006","90","","90","","90","","9849.7","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C111 H98 Au4 O3 P4 S8 -","- C111 H98 Au4 O3 P4 S8 -","- C444 H392 Au16 O12 P16 S32 -","4","0.5","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0354","0.0302","","","0.0755","0.0779","","","","","","1.06","","","","has coordinates","274262","2022-04-03","20:12:55",""
"5000024","13.372","0.002","10.497","0.003","11.992","0.002","90","","90","","90","","1683.27","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C12 Cl10 -","- C24 Cl20 -","- C96 Cl80 -","4","0.5","","Pedersen, B.","Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure","Acta Crystallographica Section B","1975","31","12","2931","2933","10.1107/S0567740875009314","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000287","12.438","0.006","8.753","0.006","13.696","0.003","90","","90","","90","","1491.08","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H6 Br4 Cl2 N2 -","- C20 H12 Br8 Cl4 N4 -","- C80 H48 Br32 Cl16 N16 -","4","0.5","","Gribble, G. W.; Blank, D. H.; Jasinski, J. P.","Synthesis and identification of two halogenated bipyrroles present in seabird eggs","Chemical Communications","1999","","21","2195","2196","10.1039/A906655A","","","","","","","","","","","","","","","","","","","","","has coordinates","176754","2020-10-21","18:00:00",""
"6000107","12.7397","0.0013","9.1676","0.0009","9.2608","0.0007","90","","90","","90","","1081.59","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- O12 S3 Y2 -","- O12 S3 Y2 -","- O48 S12 Y8 -","4","0.5","","Wickleder, M. S.","Anhydrous sulfates of rare earth elements: Syntheses and crystal structures of Y-2(SO4)(3) and Sc-2(SO4)(3)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1468","1472","10.1002/(SICI)1521-3749(200006)626:6<1468::AID-ZAAC1468>3.0.CO;2-M","","","","","","","","","","","","","","","","","","","","","has coordinates","203336","2020-10-21","18:00:00",""
"6000143","7.0065","","11.7976","","19.52","","90","","90","","90","","1613.52","","","","","","","","","","","","","5","P b c n","","","","","","- F6 Ge5 H17.34 N4 O9.67 -","","","","","","Conradsson, T.; Zou, X. D.; Dadachov, M. S.","Synthesis and crystal structure of a novel germanate: (NH4)(4)[(GeO2)(3)(GeO1.5F3)(2)] 0.67H(2)O","Inorganic Chemistry","2000","39","","1716","1720","10.1021/ic9911217","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000166","10.126","","16.492","","5.855","","90","","90","","90","","977.77","","","","","","","","","","","","","5","P b c n","","","","","","- H2 N3 O11 Rb Zr -","","","","","","Benard-Rocherulle, P.; Louer, D.","Ab initio structure determination of new mixed zirconium hydroxide nitrates ZrM(OH)(2)(NO3)(3) (M = K, Rb) from X-ray powder diffraction data","Journal of Solid State Chemistry","2000","149","","167","175","10.1006/jssc.1999.8515","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000167","11.276","","13.097","","16.751","","90","","90","","90","","2473.82","","","","","","","","","","","","","4","P b c n","","","","","","- B4 H11.2 O12.6 Rb2 -","","","","","","Touboul, M.; Penin, N.; Nowogrocki, G.","Crystal structure and thermal behavior of Rb-2[B4O5(OH)(4)] 3.6H(2)O","Journal of Solid State Chemistry","2000","149","","197","202","10.1006/jssc.1999.8522","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000272","23.84","","5.925","","4.922","","90","","90","","90","","695.24","","","","","","","","","","","","","3","P b c n","","","","","","- Ni7 P5 Si2 -","","","","","","Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T.","Preparation and crystal structure of the Ni7Si2P5 phosphide","Zeitschrift für Kristallographie","1999","214","6","337","340","10.1524/zkri.1999.214.6.337","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000484","22.894","","7.568","","6.697","","90","","90","","90","","1160.33","","","","","","","","","","","","","6","P b c n","","","","","","- C3 H12 Co2 N2 O9 P2 -","","","","","","Choudhury, A.; Natarajan, S.; Rao, C. N. R.","Layered cobalt phosphates by the amine phosphate route","Journal of Solid State Chemistry","2000","155","","62","70","10.1006/jssc.2000.8892","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000632","16.493","0.005","6.82","0.006","22.22","0.007","90","","90","","90","","2499","2","100","1","100","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 N2 O21 Sr3 -","- C16 H22 N2 O21 Sr3 -","- C64 H88 N8 O84 Sr12 -","4","0.5","","Das, Madhab C.; Ghosh, Sujit K.; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Coordination polymers with pyridine-2,4,6-tricarboxylic acid and alkaline-earth/lanthanide/transition metals: synthesis and X-ray structures","Dalton Transactions","2009","","9","1644","1658","10.1039/b814066a","","","0.71069","MoKα","","0.0634","0.0368","","","0.0726","0.105","","","","","","1.13","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000795","22.103","0.0011","8.667","0.0005","24.301","0.0014","90","","90","","90","","4655.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Compound X","","","- C55 H34 Cl2 N6 Pt2 Tl2 -","- C55 H34 Cl2 N6 Pt2 Tl2 -","- C220 H136 Cl8 N24 Pt8 Tl8 -","4","0.5","","Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Gil, Belén; Lalinde, Elena","Extended structures containing Pt(ii)‒Tl(i) bonds. Effect of these interactions on the luminescence of cyclometalated Pt(ii) compounds","Dalton Transactions","2009","","12","2224","2234","10.1039/b819323a","","","0.71073","MoKα","","0.1362","0.0707","","","0.149","0.1749","","","","","","1.09","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000801","27.983","0.003","16.8551","0.0017","13.076","0.0013","90","","90","","90","","6167.4","1.1","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Br2 N4 Pd -","- C30 H38 Br2 N4 Pd -","- C240 H304 Br16 N32 Pd8 -","8","1","","Han, Yuan; Huynh, Han Vinh","Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles","Dalton Transactions","2009","","12","2201","2209","10.1039/b816471a","","","0.71073","MoKα","","0.1063","0.0581","","","0.1251","0.1414","","","","","","1.029","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000850","8.0488","0.0004","14.1103","0.0007","15.328","0.0007","90","","90","","90","","1740.82","0.15","150","2","150","2","","","","","","","Fiona Mackay FM05D","5","P b c n","-P 2n 2ab","60","","","","- C14 H14 N8 O4 Pt -","- C14 H14 N8 O4 Pt -","- C56 H56 N32 O16 Pt4 -","4","0.5","","Mackay, Fiona S.; Farrer, Nicola J.; Salassa, Luca; Tai, Hui-Chung; Deeth, Robert J.; Moggach, Stephen A.; Wood, Peter A.; Parsons, Simon; Sadler, Peter J.","Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes","Dalton Transactions","2009","","13","2315","2325","10.1039/b820550g","","","0.71073","MoKα","","0.038","0.0243","","","0.0531","0.0582","","","","","","1.112","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000870","17.8054","0.0016","18.6149","0.0016","27.751","0.002","90","","90","","90","","9198","1.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H74 Br4 Cl20 Hg2 N8 -","- C66 H70 Br4 Cl20 Hg2 N8 -","- C264 H280 Br16 Cl80 Hg8 N32 -","4","0.5","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Synthesis and structural studies of metallamacrotricycles based on a metacyclophane in 1,3-alternate conformation bearing four imidazolyl units","Dalton Transactions","2009","","14","2552","2557","10.1039/b816053h","","","0.71073","MoKα","","0.231","0.134","","","0.3065","0.3722","","","","","","1.154","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7001289","15.141","0.0008","8.1197","0.0005","18.4635","0.001","90","","90","","90","","2269.9","0.2","173.1","","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H26 Cl2 N4 Zn -","- C24 H26 Cl2 N4 Zn -","- C96 H104 Cl8 N16 Zn4 -","4","0.5","","Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi","Bisquinoline-based fluorescent zinc sensors","Dalton Transactions","2009","","19","3800","3806","10.1039/b820763a","","","0.7107","MoKα","","0.0431","0.0328","","","0.0773","0.0833","","","","","","1.069","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7001315","18.8868","0.0007","29.4585","0.001","21.2424","0.0008","90","","90","","90","","11818.8","0.7","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C108 H77 Ag4 Al N18 O42 W12 -","- C108 H72 Ag4 Al N18 O42 W12 -","- C432 H288 Ag16 Al4 N72 O168 W48 -","4","0.5","","Yuan, Ling; Qin, Chao; Wang, Xinlong; Li, Yangguang; Wang, Enbo","A series of novel organic‒inorganic hybrids based on α-[AlW12O40]5− polyoxoanions and transition-metal organoamine complexes","Dalton Transactions","2009","","21","4169","4175","10.1039/b818535b","","","0.71073","MoKα","","0.0606","0.0446","","","0.1233","0.1333","","","","","","1.143","","","","has coordinates,has disorder","179710","2020-10-21","18:00:00",""
"7001434","21.315","0.004","19.714","0.003","21.97","0.004","90","","90","","90","","9232","3","173","2","173","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C42 H65 N8 O2.5 Sn2 -","- C42 H65 N8 O2.5 Sn2 -","- C336 H520 N64 O20 Sn16 -","8","1","","Hitchcock, Peter B.; Lappert, Michael F.; Pierssens, Luc J.-M.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H.","Synthesis and characterisation of twelve SnIV diaryls and formation of a SnIII triaryl","Dalton Transactions","2009","","23","4578","4585","10.1039/b820835b","","x-ray","0.71073","MoKα","","0.0612","0.0443","","","0.1177","0.1277","","","","","","1.066","","","","has coordinates,has disorder","179712","2020-10-21","18:00:00",""
"7001684","13.558","0.003","18.331","0.004","24.29","0.005","90","","90","","90","","6037","2","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C67 H92 N4 Ni Si2 -","- C67 H92 N4 Ni Si2 -","- C268 H368 N16 Ni4 Si8 -","4","0.5","","Kong, Lingbing; Zhang, Jianying; Song, Haibin; Cui, Chunming","N-Aryl substituted heterocyclic silylenes","Dalton Transactions","2009","","28","5444","5446","10.1039/b905905a","","","0.71073","MoKα","","0.1007","0.0651","","","0.1403","0.1557","","","","","","1.066","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001790","26.3921","0.0008","20.8329","0.0007","16.2704","0.0005","90","","90","","90","","8945.9","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 Br2 Co N4 -","- C28 H32 Br2 Co N4 -","- C224 H256 Br16 Co8 N32 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: generation and structural studies on 1- and 2D coordination networks based on a meta-cyclophane in 1,3-alternate conformation bearing four pyrazolyl units and cobalt, zinc and copper cations","Dalton Transactions","2009","","32","6309","6314","10.1039/b903674a","","","0.71073","MoKα","","0.1618","0.0645","","","0.1439","0.1558","","","","","","1.034","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001791","26.3351","0.0017","20.7619","0.0017","16.0893","0.0013","90","","90","","90","","8797.1","1.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 Cl2 Co N4 -","- C28 H32 Cl2 Co N4 -","- C224 H256 Cl16 Co8 N32 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: generation and structural studies on 1- and 2D coordination networks based on a meta-cyclophane in 1,3-alternate conformation bearing four pyrazolyl units and cobalt, zinc and copper cations","Dalton Transactions","2009","","32","6309","6314","10.1039/b903674a","","","0.71073","MoKα","","0.1489","0.0638","","","0.1247","0.1323","","","","","","1.055","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001793","26.368","0.001","20.8457","0.0008","16.2776","0.0007","90","","90","","90","","8947.1","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 Br2 N4 Zn -","- C28 H32 Br2 N4 Zn -","- C224 H256 Br16 N32 Zn8 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: generation and structural studies on 1- and 2D coordination networks based on a meta-cyclophane in 1,3-alternate conformation bearing four pyrazolyl units and cobalt, zinc and copper cations","Dalton Transactions","2009","","32","6309","6314","10.1039/b903674a","","","0.71073","MoKα","","0.1441","0.0642","","","0.1429","0.1554","","","","","","1.018","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001794","26.4215","0.0019","20.6802","0.0016","16.0503","0.0012","90","","90","","90","","8769.9","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 Cl2 N4 Zn -","- C28 H32 Cl2 N4 Zn -","- C224 H256 Cl16 N32 Zn8 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: generation and structural studies on 1- and 2D coordination networks based on a meta-cyclophane in 1,3-alternate conformation bearing four pyrazolyl units and cobalt, zinc and copper cations","Dalton Transactions","2009","","32","6309","6314","10.1039/b903674a","","","0.71073","MoKα","","0.1205","0.0647","","","0.169","0.1813","","","","","","1.01","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7002090","31.2166","0.0019","11.173","0.0007","17.0257","0.001","90","","90","","90","","5938.3","0.6","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H30 Br N5 O3 Pd S -","- C32 H30 Br N5 O3 Pd S -","- C256 H240 Br8 N40 O24 Pd8 S8 -","8","1","","Huynh, Han Vinh; Yuan, Dan; Han, Yuan","Syntheses and catalytic activities of pseudo-pincer and CSC pincer-type Pd(II) complexes derived from benzannulated N-heterocyclic carbenes","Dalton Transactions","2009","","35","7262","","10.1039/b907887h","","","0.71073","MoKα","","0.0977","0.053","","","0.1173","0.1342","","","","","","1.02","","","","has coordinates,has disorder","179718","2020-10-21","18:00:00",""
"7002248","26.762","0.002","12.3139","0.0009","6.7859","0.0005","90","","90","","90","","2236.3","0.3","100","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 N4 Ni O2 -","- C28 H20 N4 Ni O2 -","- C112 H80 N16 Ni4 O8 -","4","0.5","","López-Torres, Elena; Mendiola, M. Antonia","Structural diversity of benzil bis(benzoylhydrazone): Mononuclear, binuclear and trinuclear complexes","Dalton Transactions","2009","","37","7639","7647","10.1039/b908662e","","","0.71073","MoKα","","0.0669","0.033","","","0.0864","0.1162","","","","","","1.193","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002269","13.3715","0.0002","25.7813","0.0005","21.0953","0.0005","90","","90","","90","","7272.3","0.2","173","2","173","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C37 H50 Cl2 N2 O Sb -","- C37 H50 Cl2 N2 O Sb -","- C296 H400 Cl16 N16 O8 Sb8 -","8","1","","Hitchcock, Peter B.; Lappert, Michael F.; Li, Gang; Coles, Martyn P.","Synthesis and structures of β-dialdiminatoantimony(III) halides and β-dialdiminium hexahalogenoantimoniates","Dalton Transactions","2009","","37","7820","7826","10.1039/b905929f","","x-ray","0.71073","MoKα","","0.1054","0.0588","","","0.0844","0.0953","","","","","","1.115","","","","has coordinates,has disorder","209600","2020-10-21","18:00:00",""
"7002270","13.562","0.0002","26.3036","0.0003","20.9135","0.0003","90","","90","","90","","7460.46","0.18","173","2","173","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C37 H50 Br2 N2 O Sb -","- C37 H50 Br2 N2 O Sb -","- C296 H400 Br16 N16 O8 Sb8 -","8","1","","Hitchcock, Peter B.; Lappert, Michael F.; Li, Gang; Coles, Martyn P.","Synthesis and structures of β-dialdiminatoantimony(III) halides and β-dialdiminium hexahalogenoantimoniates","Dalton Transactions","2009","","37","7820","7826","10.1039/b905929f","","x-ray","0.71073","MoKα","","0.0673","0.0379","","","0.0695","0.0786","","","","","","1.008","","","","has coordinates,has disorder","209600","2020-10-21","18:00:00",""
"7002326","12.796","0.003","18.24","0.004","16.62","0.004","90","","90","","90","","3879.1","1.6","93.1","","","","","","","","","","","8","P b c n","-P 2n 2ab","60","bis(ethylbis(2-pyridylmethyl)amineruthenium) bis(mu-methoxox) mu-chloro hexafurorophosphate hydrate","","","- C30 H42 Cl F12 N6 O3 P2 Ru2 -","- C30 H40 Cl F12 N6 O3 P2 Ru2 -","- C120 H160 Cl4 F48 N24 O12 P8 Ru8 -","4","0.5","","Matsuya, Kazuhiro; Fukui, Sohei; Hoshino, Yoshimasa; Nagao, Hirotaka","A mixed-valence diruthenium complex, triply bridged by mixed-moieties of chloro and methoxo ligands","Dalton Transactions","2009","","38","7876","7878","10.1039/b912377f","","","0.7107","MoKα","","","0.0462","","","","0.1112","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002381","15.392","0.005","12.636","0.005","18.352","0.005","90","","90","","90","","3569","2","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Compound 5a","","","- C38 H42 N4 O2 P2 Ti -","- C38 H42 N4 O2 P2 Ti -","- C152 H168 N16 O8 P8 Ti4 -","4","0.5","","Broomfield, Lewis M.; Wright, Joseph A.; Bochmann, Manfred","Synthesis, structures and reactivity of 2-phosphorylmethyl-1H-pyrrolato complexes of titanium, yttrium and zinc","Dalton Transactions","2009","","39","8269","8279","10.1039/b908394d","","","0.71073","MoKα","","0.1938","0.0957","","","0.1467","0.1825","","","","","","1.125","","","","has coordinates","209607","2020-10-21","18:00:00",""
"7002530","30.4627","0.0005","8.903","0.0002","15.873","0.0003","90","","90","","90","","4304.91","0.14","233","2","233","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 Cl Cu N2 -","- C22 H28 Cl Cu N2 -","- C176 H224 Cl8 Cu8 N16 -","8","1","","Pawar, Gajanan M.; Bantu, Bhasker; Weckesser, Jochen; Blechert, Siegfried; Wurst, Klaus; Buchmeiser, Michael R.","Ring-opening metathesis polymerization-derived, polymer-bound Cu-catalysts for click-chemistry and hydrosilylation reactions under micellar conditions","Dalton Transactions","2009","","41","9043","9051","10.1039/b909180g","","","0.71073","MoKα","","0.0521","0.0444","","","0.1108","0.1146","","","","","","1.072","","","","has coordinates","209613","2020-10-21","18:00:00",""
"7002634","15.0455","0.0005","21.4205","0.0007","28.9487","0.001","90","","90","","90","","9329.6","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H88 N8 O12 P4 Pt2 -","- C94 H80 N8 O12 P4 Pt2 -","- C376 H320 N32 O48 P16 Pt8 -","4","0.5","","Das, Neeladri; Sanz Miguel, Pablo J.; Khutia, Anupam; Lazar, Martina; Lippert, Bernhard","Hybrids between classical and metallacalix[4]arenes based on uracil and cis-PtIIL2 entities (L = P(Ph)3 or L2 = 2,2′-bipyridine)","Dalton Transactions","2009","","42","9120","","10.1039/b916178n","","","0.71073","MoKα","","0.1082","0.063","","","0.1737","0.1829","","","","","","1.03","","","","has coordinates,has disorder","179730","2020-10-21","18:00:00",""
"7002713","16.5327","0.0015","10.1651","0.0008","22.89","0.002","90","","90","","90","","3846.8","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H40 Cu3 N6 Na O6 -","- C40 H40 Cu3 N6 Na O6 -","- C160 H160 Cu12 N24 Na4 O24 -","4","0.5","","Ray, Aurkie; Rosair, Georgina M.; Rajeev, Ramanan; Sunoj, Raghavan B.; Rentschler, Eva; Mitra, Samiran","NaI/CuI‒II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlation and computational studies","Dalton Transactions","2009","","43","9510","9519","10.1039/b911938h","","","0.71073","MoKα","","0.1175","0.0476","","","0.108","0.1454","","","","","","1.02","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7002730","20.535","0.006","12.631","0.004","11.271","0.003","90","","90","","90","","2923.4","1.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H6 Cu2 N12 -","- C10 H6 Cu2 N12 -","- C80 H48 Cu16 N96 -","8","1","","Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique","Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes","Dalton Transactions","2009","","43","9578","9586","10.1039/b910811d","","","0.71073","MoKα","","0.0708","0.0432","","","0.0693","0.0772","","","","","","1.111","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002962","28.033","0.002","15.1201","0.0011","17.819","0.0013","90","","90","","90","","7552.8","0.9","180","2","180","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H58 Cl8 Cu5 N12 O10 S4 -","- C62 H58 Cl8 Cu5 N12 O10 S4 -","- C248 H232 Cl32 Cu20 N48 O40 S16 -","4","0.5","","Veltzé, Sune; Egdal, Rune Kirk; Johansson, Frank B.; Bond, Andrew D.; McKenzie, Christine J.","Coordinative flexibility in an acyclic bis(sulfonamide) ligand","Dalton Transactions","2009","","47","10495","10504","10.1039/b912617a","","","0.71073","MoKα","","0.1498","0.1239","","","0.2938","0.3048","","","","","","1.118","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7003075","23.032","0.003","12.0127","0.0018","22.495","0.003","90","","90","","90","","6223.8","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C55 H54 Ag6 N22 O7 -","- C55 H54 Ag6 N22 O7 -","- C220 H216 Ag24 N88 O28 -","4","0.5","","Zhou, Yongbo; Chen, Wanzhi; Wang, Daqi","Mononuclear, dinuclear, hexanuclear, and one-dimensional polymeric silver complexes having ligand-supported and unsupported argentophilic interactions stabilized by pincer-like 2,6-bis(5-pyrazolyl)pyridine ligands","Dalton Transactions","2008","","11","1444","1453","10.1039/b710916d","","","0.71073","MoKα","","0.1459","0.051","","","0.1239","0.1712","","","","","","1.032","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003077","24.165","0.006","11.793","0.003","22.19","0.005","90","","90","","90","","6324","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H48 Ag6 Cl2 N20 O8 -","- C52 H48 Ag6 Cl2 N20 O8 -","- C208 H192 Ag24 Cl8 N80 O32 -","4","0.5","","Zhou, Yongbo; Chen, Wanzhi; Wang, Daqi","Mononuclear, dinuclear, hexanuclear, and one-dimensional polymeric silver complexes having ligand-supported and unsupported argentophilic interactions stabilized by pincer-like 2,6-bis(5-pyrazolyl)pyridine ligands","Dalton Transactions","2008","","11","1444","1453","10.1039/b710916d","","","0.71073","MoKα","","0.0984","0.0549","","","0.1392","0.1638","","","","","","0.855","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003450","11.9721","0.0004","16.4808","0.0004","20.4486","0.0007","90","","90","","90","","4034.7","0.2","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H30 B F4 Ga -","- C20 H30 B F4 Ga -","- C160 H240 B8 F32 Ga8 -","8","1","","Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.","Group 13 decamethylmetallocenium cations","Dalton Transactions","2008","","9","1161","1176","10.1039/b716220k","","","0.71073","MoKα","","0.0946","0.0474","","","0.0841","0.0968","","","","","","1.019","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003494","10.78","0.003","14.567","0.004","8.764","0.002","90","","90","","90","","1376.2","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","3,3-(butylenedioxy)-2,2-bipyridine methanol solvate","3,3-(butylenedioxy)-2,2-bipyridine methanol solvate","","- C15 H18 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","0.5","","Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara","New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction","Dalton Transactions","2008","","16","2171","2182","10.1039/b716656g","","","0.71073","Mokα","","0.057","0.0455","","","0.1511","0.1592","","","","","","1.123","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003667","11.183","0.003","7.516","0.0018","16.303","0.005","90","","90","","90","","1370.3","0.6","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","N,N'-Bis-oxo-N,N'-dimethylethylenediamine tetramethyldigallate","1,2,2,4,5,5-Hexamethyl-2,5-digalla-3,6-dioxa-1,4-diazabicyclo[2,2,2]octan","","- C8 H22 Ga2 N2 O2 -","- C8 H22 Ga2 N2 O2 -","- C32 H88 Ga8 N8 O8 -","4","0.5","","Bösing, Patrick; Willner, Alexander; Pape, Tania; Hepp, Alexander; Mitzel, Norbert W.","Structural diversity in bishydroxylamine complexes of gallium","Dalton Transactions","2008","","19","2549","2556","10.1039/b718268f","","","0.71073","MoKα","","0.0785","0.0744","","","0.2041","0.2063","","","","","","1.272","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003794","21.996","0.004","7.2823","0.0015","11.47","0.002","90","","90","","90","","1837.3","0.6","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H7 B Cl2 F10 N2 -","- C17 H7 B Cl2 F10 N2 -","- C68 H28 B4 Cl8 F40 N8 -","4","0.5","","Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H.","Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]−","Dalton Transactions","2008","","17","2293","2297","10.1039/b719722e","","","0.71073","MoKα","","0.071","0.0388","","","0.0944","0.1111","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004308","16.595","0.001","10.028","0.001","14.635","0.001","90","","90","","90","","2435.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 N2 O4 Pb -","- C12 H8 N2 O4 Pb -","- C96 H64 N16 O32 Pb8 -","8","1","","Aslani, Alireza; Morsali, Ali; Zeller, Matthias","Dynamic crystal-to-crystal conversion of a 3D‒3D coordination polymer by de- and re-hydration","Dalton Transactions","2008","","38","5173","5177","10.1039/b805367g","","","0.71069","MoKα","","0.0434","0.0277","","","0.0609","0.0663","","","","","","1.08","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004420","15.4875","0.0002","13.1388","0.0002","27.759","0.0005","90","","90","","90","","5648.6","0.15","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 N12 O14 Pt -","- C18 H26 N12 O14 Pt -","- C144 H208 N96 O112 Pt8 -","8","1","","Tyan, Marina R.; Bokach, Nadezhda A.; Wang, Meng-Jiy; Haukka, Matti; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu.","Facile cyanamide‒ammonia coupling mediated by cis- and trans-[PtIIL2] centers and giving metal-bound guanidines","Dalton Transactions","2008","","38","5178","5188","10.1039/b806862c","","","0.71073","MoKα","","0.0583","0.0299","","","0.0631","0.0712","","","","","","1.059","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004697","16.246","0.003","11.198","0.002","14.519","0.003","90","","90","","90","","2641.3","0.9","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C19 H33 Mn N7 O6 S2 -","- C19 H33 Mn N7 O6 S2 -","- C76 H132 Mn4 N28 O24 S8 -","4","0.5","","Pedrido, Rosa; González-Noya, Ana M.; Romero, Maria J.; Martínez-Calvo, Miguel; Vázquez López, Miguel; Gómez-Fórneas, Esther; Zaragoza, Guillermo; Bermejo, Manuel R.","Pentadentate thiosemicarbazones as versatile chelating systems. A comparative structural study of their metallic complexes","Dalton Transactions","2008","","47","6776","6787","10.1039/b810601k","","x-ray","0.7107","MoKα","","0.0656","0.0398","","","0.1089","0.1209","","","","","","1.101","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004743","12.2216","0.0008","21.3254","0.0015","26.4776","0.0017","90","","90","","90","","6900.9","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H44 Cl8 Co5 N30 S2 -","- C58 H44 Cl8 Co5 N30 S2 -","- C232 H176 Cl32 Co20 N120 S8 -","4","0.5","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Wang, Rui-Ren; Huang, Yi-Lin; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","First stable reduced form of [Co5]+10: fine tuning of linear pentacobalt(ii) complexes containing delocalized metal‒metal bonds through ligand modification","Dalton Transactions","2008","","47","6808","6816","10.1039/b811520f","","","0.71073","MoKα","","0.1383","0.0534","","","0.1133","0.1433","","","","","","1.03","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004763","10.0328","0.0013","19.091","0.003","15.374","0.002","90","","90","","90","","2944.7","0.7","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(3-Methylamino-1-propanolato-O,N)-di-tert.-butylgallium","[3-Methylamino-1-propanolato-O,N]-di-tert.-butylgallium","","- C12 H28 Ga N O -","- C12 H28 Ga N O -","- C96 H224 Ga8 N8 O8 -","8","1","","Willner, Alexander; Hepp, Alexander; Mitzel, Norbert W.","Organo-aluminium and -gallium complexes with ω-NH-functional alkoxide ligands","Dalton Transactions","2008","","47","6832","6842","10.1039/b811792f","","","0.71073","MoKα","","0.0539","0.0336","","","0.0678","0.0746","","","","","","1.014","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004871","29.9175","0.0016","20.673","0.0011","11.5155","0.0006","90","","90","","90","","7122.2","0.7","173","2","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H40 Cl2 P4 Pt -","- C31 H40 Cl2 P4 Pt -","- C248 H320 Cl16 P32 Pt8 -","8","1","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","0.71074","MoKα","","0.0287","0.0215","","","0.0698","0.0724","","","","","","1.034","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004884","13.6213","0.0016","7.5799","0.0009","14.7671","0.0019","90","","90","","90","","1524.7","0.3","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Mn N10 -","- C12 H8 Mn N10 -","- C48 H32 Mn4 N40 -","4","0.5","","Manson, Jamie L.; Schlueter, John A.; Nygren, Cara L.","Mn(dca)2(pym)2 and Mn(dca)2(pym)(H2O) {dca = dicyanamide; pym = pyrimidine}: New coordination polymers exhibiting 1- and 2-D topologies.","Dalton transactions (Cambridge, England : 2003)","2007","","6","646","652","10.1039/b612474g","","","0.71073","MoKα","","0.2042","0.0824","","","0.1759","0.2239","","","","","","1.039","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7005444","25.548","0.003","26.416","0.003","11.7932","0.0011","90","","90","","90","","7958.9","1.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H80 Er2 N22 O20 Ru3 -","- C72 H76 Er2 N22 O20 Ru3 -","- C288 H304 Er8 N88 O80 Ru12 -","4","0.5","","Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties","Dalton Transactions","2007","","23","2419","","10.1039/b702235b","","","0.71073","MoKα","","0.0425","0.0405","","","0.106","0.1079","","","","","","1.101","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005445","25.497","0.003","26.744","0.002","11.8709","0.0011","90","","90","","90","","8094.7","1.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H80 N22 Nd2 O20 Ru3 -","- C72 H76 N22 Nd2 O20 Ru3 -","- C288 H304 N88 Nd8 O80 Ru12 -","4","0.5","","Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties","Dalton Transactions","2007","","23","2419","","10.1039/b702235b","","","0.71073","MoKα","","0.0422","0.0344","","","0.0841","0.0896","","","","","","1.029","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005446","25.8453","0.0014","25.9396","0.0015","11.8135","0.0005","90","","90","","90","","7920","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H80 N22 O20 Ru3 Yb2 -","- C72 H68 N22 O20 Ru3 Yb2 -","- C288 H272 N88 O80 Ru12 Yb8 -","4","0.5","","Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties","Dalton Transactions","2007","","23","2419","","10.1039/b702235b","","","0.71073","MoKα","","0.06","0.0521","","","0.1058","0.1104","","","","","","1.183","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005977","21.745","0.004","22.44","0.004","28.767","0.006","90","","90","","90","","14037","5","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Potassium-tetrakis(N,N-diisopropylaminoxy)yttrate","Potassium-tetrakis(N,N-diisopropylaminoxy)yttrate","","- C54.5 H125 K2 N8 O9 Y2 -","- C27.25 H62.5 K N4 O4.5 Y -","- C436 H1000 K16 N64 O72 Y16 -","16","2","","Venugopal, Ajay; Willner, Alexander; Hepp, Alexander; Mitzel, Norbert W.","Hydroxylaminato yttrate and samarate complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3124","3126","10.1039/b707575h","","","0.71073","MoKα","","0.1954","0.0727","","","0.1473","0.1899","","","","","","0.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005984","13.9069","0.0012","15.2037","0.0012","25.5526","0.0018","90","","90","","90","","5402.7","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H72 B4 Co2 N12 O3 -","- C50 H72 B4 Co2 N12 O3 -","- C200 H288 B16 Co8 N48 O12 -","4","0.5","","Zhang, Fan; Morawitz, Thorsten; Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Metallomacrocycles from ditopic chiral scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","40","4594","4598","10.1039/b707807b","","","0.71073","MoKα","","0.1195","0.0731","","","0.1262","0.1403","","","","","","1.084","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7005997","7.4196","0.0004","19.2216","0.0013","12.3604","0.0008","90","","90","","90","","1762.8","0.19","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H5 Dy N O5 -","- C7 H4 Dy N O5 -","- C56 H32 Dy8 N8 O40 -","8","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu","Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4059","4066","10.1039/b708165k","","","0.71073","MoKα","","0.0388","0.0358","","","0.0875","0.0898","","","","","","1.227","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7005998","7.3785","0.0001","19.1406","0.0003","12.3183","0.0003","90","","90","","90","","1739.7","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H5 Er N O5 -","- C7 H4 Er N O5 -","- C56 H32 Er8 N8 O40 -","8","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu","Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4059","4066","10.1039/b708165k","","","0.71073","MoKα","","","0.0466","","","0.0989","0.101","","","","","","1.371","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006005","7.4556","0.0019","19.274","0.005","12.401","0.003","90","","90","","90","","1782","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H5 N O5 Tb -","- C7 H4 N O5 Tb -","- C56 H32 N8 O40 Tb8 -","8","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu","Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4059","4066","10.1039/b708165k","","","0.71073","MoKα","","0.0346","0.0313","","","0.0795","0.0818","","","","","","1.258","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006116","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","","Day, Joanna K.; Bresner, Chrisopher; Fallis, Ian A.; Ooi, Li-Ling; Watkin, David J.; Coles, Simon J.; Male, Louise; Hursthouse, Michael B.; Aldridge, Simon","Synthesis of polymeric and macrocyclic Lewis acids: influence of backbone on degree of aggregation.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3486","3488","10.1039/b709042k","","","0.71073","MoKα","","0.1451","0.0905","","","0.1459","0.1676","","","","","","1.219","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006356","12.233","0.004","7.277","0.002","22.578","0.007","90","","90","","90","","2009.9","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Cd N14 -","- C18 H12 Cd N14 -","- C72 H48 Cd4 N56 -","4","0.5","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.043","0.028","","","0.063","0.0683","","","","","","1.126","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006548","17.9796","0.0004","16.7107","0.0003","22.3627","0.0004","90","","90","","90","","6718.9","0.2","180","1","180","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Complex 2-Ti","","","- C34 H56 N2 O4 Ti -","- C34 H56 N2 O4 Ti -","- C272 H448 N16 O32 Ti8 -","8","1","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","Mo-Kα","","0.0751","0.0497","","","0.1108","0.1199","","","","","","1.047","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006769","31.357","0.01","19.516","0.005","20.294","0.007","90","","90","","90","","12419","7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C60 H78 B F4 O2 P2 Rh -","- C60 H78 B F4 O2 P2 Rh -","- C480 H624 B8 F32 O16 P16 Rh8 -","8","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.1367","0.0777","","","0.1813","0.2172","","","","","","1.117","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006979","21.921","0.006","16.246","0.005","28.685","0.008","90","","90","","90","","10216","5","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H55 Br4 Cl3 N5 Ni2 O2 -","- C44 H52 Br4 Cl3 N5 Ni2 O2 -","- C352 H416 Br32 Cl24 N40 Ni16 O16 -","8","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.2179","0.1331","","","0.3076","0.3433","","","","","","1.102","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007081","20.997","0.004","8.242","0.0016","13.556","0.003","90","","90","","90","","2346","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H13 Cd0.5 N O Se -","- C10 H13 Cd0.5 N O Se -","- C80 H104 Cd4 N8 O8 Se8 -","8","1","","Kedarnath, Gotluru; Kumbhare, Liladhar B.; Jain, Vimal K.; Phadnis, Prasad P.; Nethaji, Munirathinam","Group 12 metal monoselenocarboxylates: synthesis, characterization, structure and their transformation to metal selenide (MSe; M = Zn, Cd, Hg) nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2714","2718","10.1039/b517224a","","","0.71073","MoKα","","0.0726","0.0419","","","0.0838","0.0932","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007156","15.158","0.003","12.213","0.002","14.874","0.003","90","","90","","90","","2753.5","0.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","nitrobis(1,10-phenanthroline-5,6-dione)copper(ii) nitrate acetonitrile clathrate","nitrobis(1,10-phenanthroline-5,6-dione)copper(II) nitrate acetonitrile clathrate","","- C26 H15 Cu N7 O10 -","- C26 H15 Cu N7 O10 -","- C104 H60 Cu4 N28 O40 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.0878","0.0744","","","0.226","0.2383","","","","","","1.166","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007157","14.4198","0.0004","12.2319","0.0003","14.9169","0.0005","90","","90","","90","","2631.07","0.13","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","bromobis(1,10-phenanthroline-5,6-dione)copper(ii) bromide ethanol clathrate","bromobis(1,10-phenanthroline-5,6-dione)copper(II) bromide ethanol clathrate","","- C26 H20 Br2 Cu N4 O6 -","- C26 H20 Br2 Cu N4 O6 -","- C104 H80 Br8 Cu4 N16 O24 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.0888","0.0522","","","0.148","0.1693","","","","","","1.069","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007279","20.28","0.0005","15.0904","0.0003","21.4779","0.0006","90","","90","","90","","6573","0.3","123","2","123","2","","","","","","","DME","4","P b c n","-P 2n 2ab","60","","","","- C68 H84 Na4 O12 -","- C68 H84 Na4 O12 -","- C272 H336 Na16 O48 -","4","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.1492","0.0514","","","0.116","0.1557","","","","","","0.849","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007543","10.9945","0.0008","11.7842","0.0009","9.3014","0.0007","90","","90","","90","","1205.1","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","04264","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","0.5","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0396","0.0369","","","0.1037","0.1057","","","","","","1.024","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007748","18.5977","0.0017","10.4861","0.001","19.4574","0.0017","90","","90","","90","","3794.5","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H20 F14 O4 P2 Pd2 -","- C40 H20 F14 O4 P2 Pd2 -","- C160 H80 F56 O16 P8 Pd8 -","4","0.5","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.0689","0.0612","","","0.1073","0.1097","","","","","","1.293","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007926","9.3229","0.0007","15.529","0.0011","31.113","0.002","90","","90","","90","","4504.4","0.5","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H58 La2 N8 O28 -","- C30 H46 La2 N8 O27.23 -","- C120 H184 La8 N32 O108.92 -","4","0.5","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0563","0.0376","","","0.0827","0.0908","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7007965","23.5075","0.0007","9.0184","0.0003","22.3163","0.0006","90","","90","","90","","4731.1","0.2","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H52 N10 Ni3 O12 -","- C46 H52 N10 Ni3 O12 -","- C184 H208 N40 Ni12 O48 -","4","0.5","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.1093","0.0536","","","0.1049","0.1225","","","","","","1.03","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007985","35.704","0.003","10.4729","0.0008","18.4357","0.0014","90","","90","","90","","6893.6","0.9","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[(2,2'-Bipyridine)(indazole)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate)","","- C32 H25 F12 N7 P2 Ru -","- C32 H25 F12 N7 P2 Ru -","- C256 H200 F96 N56 P16 Ru8 -","8","1","","Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph","From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).","Dalton transactions (Cambridge, England : 2003)","2005","","2","256","267","10.1039/b414999h","","","0.71073","MoKα","","0.0671","0.0442","","","0.1024","0.1138","","","","","","1.057","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008337","17.724","0.004","7.3594","0.0015","18.14","0.004","90","","90","","90","","2366.1","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cu O10.5 -","- C6 H3 Cu O10.5 -","- C48 H24 Cu8 O84 -","8","1","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1434","0.0695","","","0.1555","0.1995","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008404","22.9303","0.0018","15.1394","0.0012","18.866","0.0015","90","","90","","90","","6549.4","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O7 P S -","- C32 H42 N O7 P S -","- C256 H336 N8 O56 P8 S8 -","8","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1215","0.0524","","","0.1121","0.1241","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7009025","25.308","0.001","12.229","0.001","11.336","0.001","90","","90","","90","","3508.4","0.4","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H29 Cl11 N8 Si -","- C19 H29 Cl11 N8 Si -","- C76 H116 Cl44 N32 Si4 -","4","0.5","","Hensen, Karl; Mayr-Stein, Ralf; Stumpf, Thorsten; Pickel, Peter; Bolte, Michael; Fleischer, Holger","Halogen exchange and expulsion: ligand stabilized dihalogen silicon dications","Journal of the Chemical Society, Dalton Transactions","2000","","4","473","","10.1039/a908134h","","","0.71073","MoKα","","0.0809","0.0503","","0.1396","0.1147","","","","1.051","1.057","1.057","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009174","20.641","0.009","14.447","0.007","24.912","0.012","90","","90","","90","","7429","6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H41 Cu N5 O10.8675 -","- C35 H41 Cu N5 O10.87 -","- C280 H328 Cu8 N40 O86.96 -","8","1","","Atkinson, Ian M.; Chartres, Jy D.; Everett, Grover W.; Ji, Xue-Kui; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Skelton, Brian W.; Wei, Gang; White, Allan H.","Macrocyclic ligand design. Interaction of selected transition and post-transition metal ions with a new N2O2-donor macrocycle incorporating a pyridylmethyl pendant arm","Journal of the Chemical Society, Dalton Transactions","2000","","7","1191","","10.1039/a909102e","","","0.71073","MoKα","","0.142","0.07","","0.077","","0.066","","","1.705","","","1.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009321","18.768","0.003","21.023","0.002","20.026","0.004","90","","90","","90","","7901","2","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H32 N2 O5 Os2 P2 -","- C43 H32 N2 O5 Os2 P2 -","- C344 H256 N16 O40 Os16 P16 -","8","1","","Yeh, Wen-Yann; Yang, Ching-Chao; Peng, Shie-Ming; Lee, Gene-Hsiang","Complexation and metallation of the multifunctional [Ph2P(o-C6H4)CHN(CH2)2(o-C5H4N)] ligand on triosmium carbonyl clusters","Journal of the Chemical Society, Dalton Transactions","2000","","10","1649","","10.1039/a910260o","","","0.71073","MoKα","","0.0871","0.0358","","0.0649","0.057","","","","1.002","1.153","1.153","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009330","7.267","0.001","31.143","0.002","16.758","0.002","90","","90","","90","","3792.6","0.7","298.2","","298.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H20 Au2 Cu N8 -","- C12 H20 Au2 Cu N8 -","- C96 H160 Au16 Cu8 N64 -","8","1","","Yeung, Wai-Fun; Wong, Wing-Tak; Zuo, Jing-Lin; Lau, Tai-Chu","Syntheses and structures of novel heterobimetallic Cu(II)‒Au(I) complexes Cu(cyclen)[Au(CN)2]2 and Cu(pyz)[Au(CN)2]2","Journal of the Chemical Society, Dalton Transactions","2000","","5","629","","10.1039/a910350n","","","0.7107","MoKalpha","","","0.0767","","","0.0748","","","","","1.678","1.678","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009345","20.401","0.005","15.487","0.004","17.965","0.004","90","","90","","90","","5676","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Fe N6 P2 S6 -","- C60 H40 Fe N6 P2 S6 -","- C240 H160 Fe4 N24 P8 S24 -","4","0.5","","Lewis, Gareth R.; Dance, Ian","Crystal supramolecular motifs for [Ph4P]+ salts of [M(mnt)2]2−, [M(mnt)2]−, [{M(mnt)2}2]2−, [M(mnt)3]3− and [M(mnt)3]2− (mnt2− = maleonitriledithiolate) †","Journal of the Chemical Society, Dalton Transactions","2000","","18","3176","","10.1039/b000093k","","","1.5418","CuKα","","0.249","0.033","","","0.072","0.0995","","","","","","0.745","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009348","20.29","0.005","15.548","0.004","17.986","0.004","90","","90","","90","","5674","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Cr N6 P2 S6 -","- C60 H40 Cr N6 P2 S6 -","- C240 H160 Cr4 N24 P8 S24 -","4","0.5","","Lewis, Gareth R.; Dance, Ian","Crystal supramolecular motifs for [Ph4P]+ salts of [M(mnt)2]2−, [M(mnt)2]−, [{M(mnt)2}2]2−, [M(mnt)3]3− and [M(mnt)3]2− (mnt2− = maleonitriledithiolate) †","Journal of the Chemical Society, Dalton Transactions","2000","","18","3176","","10.1039/b000093k","","","0.71073","MoKα","","0.1186","0.0649","","","0.1573","0.1859","","","","","","0.84","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009430","11.1385","0.0003","11.4375","0.0005","12.1929","0.0005","90","","90","","90","","1553.33","0.1","293","","293","","","","","","","","?","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Phillips, David; Raithby, Paul R.; Schofield, Emma; Sparr, Emma; Tocher, Derek A.; Zehnder, Margareta; Zimmermann, Yves","Development of supramolecular structure through alkylation of pendant pyridyl functionality","Journal of the Chemical Society, Dalton Transactions","2000","","13","2219","","10.1039/b000940g","","","0.71073","MoKα","","","0.0532","","","0.0447","","","","","0.8204","0.8204","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009487","53.242","0.011","33.671","0.007","33.537","0.007","90","","90","","90","","60122","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C193 H308 Co8 N107 O32 S24 -","- C193 H306 Co8 N107 O29 S24 -","- C1544 H2448 Co64 N856 O232 S192 -","8","1","","Coxall, Robert A.; Harris, Steven G.; Henderson, David K.; Parsons, Simon; Tasker, Peter A.; Winpenny, Richard E. P.","Inter-ligand reactions: in situ formation of new polydentate ligands","Journal of the Chemical Society, Dalton Transactions","2000","","14","2349","","10.1039/b001404o","","","1.54187","CuKα","","0.2941","0.1373","","","0.3361","0.4236","","","","","","1.127","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7009516","34.899","0.004","9.2258","0.0014","17.409","0.003","90","","90","","90","","5605.2","1.4","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H31 B N9 O3 Tl -","- C24 H31 B N9 O3 Tl -","- C192 H248 B8 N72 O24 Tl8 -","8","1","","Rheingold, Arnold L.; Incarvito, Christopher D.; Trofimenko, Swiatoslaw","Hydrotris[3-(carboxypyrrolidido)pyrazol-1-yl]borate, the first proven N3O3-hexadentate homoscorpionate ligand","Journal of the Chemical Society, Dalton Transactions","2000","","8","1233","","10.1039/b001651i","","","0.71073","MoKα","","0.1331","0.0403","","0.1222","0.0882","","","","0.625","0.71","0.71","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009535","17.211","0.003","14.572","0.003","21.81","0.004","90","","90","","90","","5469.9","1.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H46 Ag4 N8 O16 S4 -","- C46 H44 Ag4 N8 O16 S4 -","- C184 H176 Ag16 N32 O64 S16 -","4","0.5","","Su, Cheng-Yong; Liao, Sen; Zhu, Hai-Liang; Kang, Bei-Sheng; Chen, Xiao-Ming; Liu, Han-Qin","Silver(I) complexes with quinoline based linear multidentate ligands: self-assembly of sulfur-bridged tetrametallotricyclic boxes †","Journal of the Chemical Society, Dalton Transactions","2000","","13","1985","","10.1039/b001723j","","","0.71073","MoKα","","0.1541","0.062","","","0.1868","0.2264","","","","","","1.038","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009732","14.831","0.001","6.901","0.001","11.379","0.001","90","","90","","90","","1164.6","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H10 N4 O4 S2 Zn -","- C6 H10 N4 O4 S2 Zn -","- C24 H40 N16 O16 S8 Zn4 -","4","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.","The influence of hydrogen bonding on the structure of zinc co-ordination polymers †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3845","","10.1039/b003210g","","","0.71069","MoKα","","0.0248","0.0202","","0.0818","0.0719","","","","0.66","0.665","0.665","","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009769","13.38","0.05","19.69","0.05","20.15","0.05","90","","90","","90","","5309","3","293","2","221","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H21 Mo2 O5.5 -","- C31 H20 Mo2 O5.5 -","- C248 H160 Mo16 O44 -","8","1","","Mathur, Pradeep; Ahmed, Moawia O.; Dash, Aswini K.; Walawalkar, Mrinalini G.; Puranik, Vedavati G.","Coupling of co-ordinated acetylide ligands with and without CO on chalcogen-stabilised mixed-metal clusters. Synthesis and characterisation of [M2Fe3(L)2(CO)6(μ3-E)2{μ-CC(Ph)C(Ph)C}] and [M2Fe2(L)2(CO)4(μ3-E)2{μ-CC(Ph)(CO)C(Ph)C}] (L = η5-C5Me5 or η5-C5H5, M = Mo or W, E = S, Se or Te)","Journal of the Chemical Society, Dalton Transactions","2000","","17","2916","","10.1039/b003517n","","","0.71073","","","0.0415","0.0329","","","0.086","0.0892","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009930","19.843","0.005","9.233","0.002","17.291","0.002","90","","90","","90","","3167.9","1.1","296.2","","296.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H19 Ir O2 Se2 -","- C14 H19 Ir O2 Se2 -","- C112 H152 Ir8 O16 Se16 -","8","1","","Nagao, Shoken; Seino, Hidetake; Okada, Tomohiko; Mizobe, Yasushi; Hidai, Masanobu","Syntheses of diiridium complexes with two bridging tetrachalcogenide ligands [{Ir(η5-C5Me5)}2(μ-E4)2] (E = Se or S) and their reactions with alkynes forming mono- or di-nuclear dichalcogenolene complexes","Journal of the Chemical Society, Dalton Transactions","2000","","20","3546","","10.1039/b004404k","","","0.7107","MoKα","","0.0532","0.0532","","","0.061","0.061","","","","","","1.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010068","8.921","0.002","11.935","0.002","13.274","0.005","90","","90","","90","","1413.3","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C3 H8 Ca0.5 Ni0.5 O7 -","- C3 H8 Ca0.5 Ni0.5 O7 -","- C24 H64 Ca4 Ni4 O56 -","8","1","","de Muro, Izaskun Gil; Insausti, Maite; Lezama, Luis; Urtiaga, M. Karmele; Arriortua, M. Isabel; Rojo, Teófilo","Study of the [CaM(C3H2O4)2(H2O)4]·nH2O [M = Mn, Fe or Co (n = 0) and Ni (n = 2)] systems: synthesis, structure, spectroscopic and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2000","","19","3360","","10.1039/b005661h","","","0.7107","MoKα","","0.1408","0.05","","","0.0936","0.1498","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010242","22.345","0.001","13.972","0.0004","10.634","0.0003","90","","90","","90","","3320","0.2","200","","200","","","","","","","","[AlMe3.py] + HL-4 in hexane.","5","P b c n","-P 2n 2ab","60","","[Al2(L-5)2Me4]","","- C26 H60 Al2 N6 O2 -","- C26 H60 Al2 N6 O2 -","- C104 H240 Al8 N24 O8 -","4","0.5","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71069","MoKα","","","0.054","","","0.066","","","","","1.06","1.06","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"7010651","14.1402","0.0002","9.6023","0.0001","16.4655","0.0002","89","","89","","90","","2234.98","0.05","273.2","","273.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H32 Cl2 N6 Ni O8 -","- C14 H32 Cl2 N6 Ni O8 -","- C56 H128 Cl8 N24 Ni4 O32 -","4","0.5","","Graham, Bim; Spiccia, Leone; Bond, Alan M.; Hearn, Milton T. W.; Kepert, Christopher M.","Structural, spectroscopic and electrochemical studies of nickel(II) “sandwich” complexes with ligands featuring tethered 1,4,7-triazacyclononane macrocycles †","Journal of the Chemical Society, Dalton Transactions","2001","","15","2232","","10.1039/b101766g","","","0.7107","MoKalpha","","","0.0368","","","0.0424","","","","","4.091","4.091","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010741","40.78","0.006","18.023","0.003","13.673","0.003","90","","90","","90","","10049","3","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(pyrazol-1-yl)-6-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]- copper(II) diperchlorate nitromethane solvate, beta modification","","- C42 H44 Cl2 Cu N12 O11.88 -","- C42 H44 Cl2 Cu N12 O11.875 -","- C336 H352 Cl16 Cu8 N96 O95 -","8","1","","Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A.","The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2083","","10.1039/b103142m","","","0.71073","MoKα","","0.1394","0.0887","","","0.2217","0.2736","","","","","","1.049","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00",""
"7010980","18.582","0.005","6.952","0.002","15.511","0.005","90","","90","","90","","2003.7","1","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H28 B2 N4 -","- C20 H28 B2 N4 -","- C80 H112 B8 N16 -","4","0.5","","Weber, Lothar; Schnieder, Markus; Lönnecke, Peter","Alkali metal reduction of 2-halogeno- and 2-thiolato-2,3-dihydro-1H-1,3,2-diazaboroles","Journal of the Chemical Society, Dalton Transactions","2001","","23","3459","","10.1039/b106128n","","","0.71073","MoKα","","0.0659","0.0429","","","0.1135","0.1295","","","","","","1.036","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011343","22.3876","0.0004","7.411","0.0001","19.5978","0.0003","90","","90","","90","","3251.56","0.09","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Co N8 O -","- C16 H10 Co N8 O -","- C128 H80 Co8 N64 O8 -","8","1","","Anna M. Kutasi; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray","New 2D coordination polymers containing both bi- and tri-dentate dicyanamide bridges and intercalated phenazine","J. Chem. Soc., Dalton Trans.","2002","","6","819","821","10.1039/b110920k","","","0.71073","MoKα","","0.0608","0.036","","","0.0806","0.0896","","","","","","1.048","","","","has coordinates","179817","2020-10-21","18:00:00",""
"7011344","22.4149","0.0007","7.3152","0.0001","19.5234","0.0004","90","","90","","90","","3201.24","0.13","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 N8 Ni O -","- C16 H10 N8 Ni O -","- C128 H80 N64 Ni8 O8 -","8","1","","Anna M. Kutasi; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray","New 2D coordination polymers containing both bi- and tri-dentate dicyanamide bridges and intercalated phenazine","J. Chem. Soc., Dalton Trans.","2002","","6","819","821","10.1039/b110920k","","","0.71073","MoKα","","0.1166","0.0506","","","0.1273","0.1519","","","","","","1.022","","","","has coordinates","179817","2020-10-21","18:00:00",""
"7011449","19.344","0.0011","20.8714","0.0012","16.7739","0.0009","90","","90","","90","","6772.2","0.7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C16 H10 B Br9 Cl2 Mo N6 O2 -","- C15 H8 B Br9 Mo N6 O2 -","- C120 H64 B8 Br72 Mo8 N48 O16 -","8","1","","Rheingold, Arnold L.; Liable-Sands, Louise M.; Incarvito, Christopher L.; Trofimenko, Swiatoslaw","Novel scorpionate ligands devoid of C‒H bonds: BpBr3 and TpBr3","Journal of the Chemical Society, Dalton Transactions","2002","","11","2297","","10.1039/b111568p","","","0.71073","MoKα","","0.07","0.0509","","","0.132","0.142","","","","","","0.907","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7012123","14.587","0.002","13.334","0.0019","14.971","0.002","90","","90","","90","","2911.9","0.7","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H18 Au3 Cl9 N6 -","- C15 H18 Au3 Cl9 N6 -","- C60 H72 Au12 Cl36 N24 -","4","0.5","","Yang, Guang; Raptis, Raphael G.","Oxidation of gold(i) pyrazolates by aqua regia. X-Ray crystal structures of the first examples of trinuclear AuIII3 and AuIAuIII2 pyrazolato complexes","Journal of the Chemical Society, Dalton Transactions","2002","","21","3936","","10.1039/b207600d","","","0.71073","MoKα","","0.0505","0.0271","","","0.0476","0.052","","","","","","0.95","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012167","17.842","0.001","15.729","0.001","15.101","0.001","90","","90","","90","","4237.9","0.5","298.2","","298.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H6 Br N O11 Os4 -","- C11 H6 Br N O11 Os4 -","- C88 H48 Br8 N8 O88 Os32 -","8","1","","Li, Yat; Wong, Wing-Tak","Tetraosmium carbonyl clusters containing µ-NH2 amido ligands: syntheses, crystal structures and reactivities","Dalton Transactions","2003","","3","398","","10.1039/b208321c","","","0.7107","MoKα","","","0.0384","","","","0.0506","","","","","","1.56","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012264","15.165","0.003","19.115","0.003","18.888","0.003","90","","90","","90","","5475.2","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H64 Fe2 N6 O10 -","- C58 H62 Fe2 N6 O10 -","- C232 H248 Fe8 N24 O40 -","4","0.5","","Mo Hong; Fang Chen-jie; Duan Chun-ying; Li Yu-ting; Meng Qing-jin","Crystal structures of metal‒organic frameworks sustained by π‒π interactions between triple-helices","Dalton Trans.","2003","","7","1229","1234","10.1039/b209366a","","","0.71073","MoKα","","0.0718","0.0474","","","0.1203","0.1271","","","","","","1.055","","","","has coordinates,has disorder","179826","2020-10-21","18:00:00",""
"7012361","10.721","0.001","14.8569","0.0015","13.2776","0.0015","90","","90","","90","","2114.9","0.4","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trichlorotriaquascandium(III)(1,4,7,10,13,16-hexaoxacyclooctadecane)","","- C12 H30 Cl3 O9 Sc -","- C12 H30 Cl3 O9 Sc -","- C48 H120 Cl12 O36 Sc4 -","4","0.5","","Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael","Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers","Dalton Transactions","2003","","5","857","","10.1039/b210458j","","","0.71073","MoKα","","0.0624","0.0378","","","0.0823","0.092","","","","","","1.036","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012426","28.682","0.006","11.118","0.002","18.514","0.004","90","","90","","90","","5904","2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23.5 H17 Bi Fe4 O11 Se -","- C23.5 H13 Bi Fe4 O11 Se -","- C188 H104 Bi8 Fe32 O88 Se8 -","8","1","","Konchenko, Sergei N.; Pushkarevsky, Nikolai A.; Virovets, Alexander V.; Scheer, Manfred","Reactions of [Fe3(µ3-Q)(CO)9]2‒ (Q = Se, Te) with organic and organometallic dihalides of group 15 elements ‒ an approach to functionalised clusters","Dalton Transactions","2003","","4","581","","10.1039/b210839a","","","0.71073","MoKα","","0.0491","0.0339","","","0.0791","0.0818","","","","","","0.917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012454","21.799","0.0005","9.718","0.0002","20.4069","0.0004","90","","90","","90","","4323.05","0.16","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H56 N8 P4 Zr -","- C40 H56 N8 P4 Zr -","- C160 H224 N32 P16 Zr4 -","4","0.5","","Moser, Daniel F.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.","Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane complexes of Ti, V, Zr and Hf: ligand substituent effects and coordination number","Dalton Transactions","2003","","7","1402","","10.1039/b211009a","","","0.71073","MoKα","","0.0516","0.0384","","","0.081","0.088","","","","","","1.153","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012479","30.6515","0.0013","8.6919","0.0004","28.3619","0.0007","90","","90","","90","","7556.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16.5 H27.5 Cl2 P Rh -","- C16.5 H27.5 Cl2 P Rh -","- C264 H440 Cl32 P16 Rh16 -","16","2","","McConnell, Ann E. C.; Foster, Douglas F.; Pogorzelec, Peter; Slawin, Alexandra M. Z.; Law, David J.; Cole-Hamilton, David J.","Stabilising Rh‒P coordination by phosphanylalkylcyclopentadienyl ligands","Dalton Transactions","2003","","4","510","","10.1039/b211287f","","","0.71073","MoKα","","0.2058","0.0766","","","0.157","0.2125","","","","","","0.917","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012629","14.368","0.003","25.739","0.005","14.813","0.003","90","","90","","90","","5478.1","1.9","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H17 Cu1.5 N6 O14 V4 -","- C18 H12 Cu1.5 N6 O14 V4 -","- C144 H96 Cu12 N48 O112 V32 -","8","1","","Rarig, Jr., Randy S.; Zubieta, Jon","Solid state coordination chemistry: secondary metal‒ligand influences on the structures of vanadium oxides. Hydrothermal syntheses and structures of [Zn(tpytrz)2V2O6], [Zn3(tpytrz)2(H2O)2V6O18]·6H2O and [Cu3(tpytrz)2(H2O)2V8O23]·3H2O (tpytrz = 2,4,6-tri(4-pyridyl)-1,3,5-triazine)Electronic supplementary information (ESI) available: colour versions of Fig. 1‒3. See http://www.rsc.org/suppdata/dt/b2/b212458k/","Dalton Transactions","2003","","9","1861","","10.1039/b212458k","","","0.71073","MoKα","","0.0863","0.0523","","","0.1197","0.1435","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012676","16.1228","0.0013","9.4321","0.0007","18.4865","0.0015","90","","90","","90","","2811.3","0.4","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H38 N6 O7 Pb -","- C24 H38 N6 O7 Pb -","- C96 H152 N24 O28 Pb4 -","4","0.5","","Dong, Ying; Farquhar, Sandra; Gloe, Karsten; Lindoy, Leonard F.; Rumbel, Brendan R.; Turner, Peter; Wichmann, Kathrin","Metal ion recognition. Interaction of a series of successively N-benzylated derivatives of 1,4,8,11-tetraazacyclotetradecane (cyclam) with selected transition and post-transition metal ions","Dalton Transactions","2003","","8","1558","","10.1039/b300002h","","","0.71073","MoKα","","0.0318","0.0176","","","0.0496","0.0553","","","","","","1.35","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012782","19.007","0.0011","24.1849","0.0014","25.3555","0.0015","90","","90","","90","","11655.5","1.2","173","2","173","2","","","","","","","John R. Hagadorn","5","P b c n","-P 2n 2ab","60","((Mes2ArCO2)2Cu2(THF)3)ClO4","[(Mes2ArCO2)2Cu2(THF)3]ClO4","","- C62 H74 Cl Cu2 O11 -","- C61.994 H74 Cl Cu2 O10.997 -","- C495.952 H592 Cl8 Cu16 O87.976 -","8","1","","Hagadorn, John R.; Zahn, Theresa I.; Que, Jr., Lawrence; Tolman, William B.","Dicopper(i,i) and delocalized mixed-valent dicopper(i,ii) complexes of a sterically hindered carboxylate ligand","Dalton Transactions","2003","","9","1790","","10.1039/b301154b","","","0.71073","MoKα","","0.1106","0.0793","","","0.1587","0.1676","","","","","","1.173","","","","has coordinates,has disorder","179831","2020-10-21","18:00:00",""
"7012947","10.5892","0.0002","10.1503","0.0002","12.6862","0.0002","90","","90","","90","","1363.56","0.04","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H16 Br3 Ga O2 -","- C8 H16 Br3 Ga O2 -","- C32 H64 Br12 Ga4 O8 -","4","0.5","","Nogai, Stefan D.; Schmidbaur, Hubert","Preparation and structure of soluble complexes of the ternary compounds GaSBr and GaSeBr","Dalton Transactions","2003","","12","2488","","10.1039/b302815a","","","0.71073","MoKα","","0.0278","0.0254","","","0.0588","0.0597","","","","","","1.147","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013047","19.4598","0.0015","15.242","0.0012","24.583","0.002","90","","90","","90","","7291.5","1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","02112a","","","- C37 H61 Al N2 O3 -","- C37 H61 Al N2 O3 -","- C296 H488 Al8 N16 O24 -","8","1","","Alcazar-Roman, Luis M.; O'Keefe, Brendan J.; Hillmyer, Marc A.; Tolman, William B.","Electronic influence of ligand substituents on the rate of polymerization of ?-caprolactone by single-site aluminium alkoxide catalystsElectronic supplementary information (ESI) available: Fig. S1: X-Ray structure of 3b; Fig. S2: X-Ray structure of 3c; Fig. S3: 1H NMR lineshape analysis for 3a; Fig. S4: Eyring plot for temperature-dependent fluxional process for 3a. Table S1: Selected bond lengths and angles for 3b; Table S2: Selected bond lengths and angles for 3c. See http://www.rsc.org/suppdata/dt/b3/b303760f/","Dalton Transactions","2003","","15","3082","","10.1039/b303760f","","","0.71073","MoKα","","0.0442","0.035","","","0.0875","0.0935","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013097","32.349","0.002","20.892","0.002","21.162","0.002","90","","90","","90","","14302","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H149 Cu10 N34 O36 W3 -","- C84 H149 Cu10 N34 O36 W3 -","- C336 H596 Cu40 N136 O144 W12 -","4","0.5","","Chen, Feng-Tai; Li, Dong-Feng; Gao, Song; Wang, Xin-Yi; Li, Yi-Zhi; Zheng, Li-Min; Tang, Wen-Xia","Synthesis, crystal structure and magnetic properties of a CuII?WV/IV bimetallic complex with a novel open framework structureElectronic supplementary information (ESI) available: thermal analysis, IR spectra, XRD pattern, magnetic susceptibilities and magnetic hysteresis loop for complex 1. See http://www.rsc.org/suppdata/dt/b3/b304276f/","Dalton Transactions","2003","","16","3283","","10.1039/b304276f","","","0.71073","MoKα","","0.0831","0.0403","","","0.082","0.0887","","","","","","0.891","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013145","7.6249","0.0005","16.779","0.003","17.683","0.001","90","","90","","90","","2262.3","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","(Co(EtN4S2amp))Cl(ClO4)2","","","- C12 H30 Cl3 Co N4 O8 S2 -","- C12 H30 Cl3 Co N4 O8 S2 -","- C48 H120 Cl12 Co4 N16 O32 S8 -","4","0.5","","Clint A. Sharrad; Stefan R. Lüthi; Lawrence R. Gahan","Embracing ligands. A synthetic strategy towards new nitrogen‒thioether multidentate ligands and characterization of the cobalt(III) complexes","Dalton Trans.","2003","","19","3693","3703","10.1039/b304914k","","","0.71073","MoKα","","0.0813","0.0471","","0.1449","0.1266","","","","","","","1.056","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013343","15.043","0.002","23.607","0.004","15.831","0.003","90","","90","","90","","5621.9","1.6","213","2","213","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C57 H54 F6 O9 P4 Ru S2 -","- C57 H54 F6 O9 P4 Ru S2 -","- C228 H216 F24 O36 P16 Ru4 S8 -","4","0.5","","Jamie F. Bickley; Annemarie A. La Pensée; Simon J. Higgins; Clare A. Stuart","Syntheses, characterisation and some ligand substitution chemistry of Ru(II)‒diphosphine triflate complexes","Dalton Trans.","2003","","24","4663","4668","10.1039/b306552a","","","0.71073","MoKα","","0.0608","0.0341","","","0.0741","0.0799","","","","","","0.878","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013418","13.013","0.004","20.133","0.004","13.332","0.002","90","","90","","90","","3492.9","1.4","293","2","293","2","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 Au N O3.5 S -","- C18 H12 Au N O3.505 S -","- C144 H96 Au8 N8 O28.04 S8 -","8","1","","Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Vittal, Jagadese J.; Foo Lee, Peng","Synthesis, characterization, and biological activities of 2-phenylpyridine gold(iii) complexes with thiolate ligandsElectronic supplementary information (ESI) available: ESMS data. See http://www.rsc.org/suppdata/dt/b3/b307610e/","Dalton Transactions","2003","","17","3376","","10.1039/b307610e","","","0.71073","MoKα","","0.0763","0.0489","","","0.1048","0.1129","","","","","","1.251","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013732","8.217","0.001","13.359","0.001","17.167","0.001","90","","90","","90","","1884.4","0.3","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","4'-mesytyl-terpyridine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","","Leslie, Wendy; Batsanov, Andrei S.; Howard, Judith A. K.; Williams, J. A. Gareth","Cross-couplings in the elaboration of luminescent bis-terpyridyl iridium complexes: the effect of extended or inhibited conjugation on emission.","Dalton transactions (Cambridge, England : 2003)","2004","","4","623","631","10.1039/b313638h","","","0.71073","MoKα","","0.0603","0.0457","","","0.1101","0.1193","","","","","","1.078","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013845","24.2665","0.0017","6.8788","0.0008","14.9452","0.0014","90","","90","","90","","2494.7","0.4","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","K[VO(O2)Hheida] dihydrate","Potassium (N-(2-hydroxyethyl)iminodiacetato)-peroxo-oxo-vanadium(V) dihydrate","","- C6 H13 K N O10 V -","- C6 H13 K N O10 V -","- C48 H104 K8 N8 O80 V8 -","8","1","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","1.54178","CuKα","","0.0403","0.0373","","","0.1026","0.1049","","","","","","1.09","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013870","33.3037","0.0001","11.0025","0.0003","24.7218","0.0005","90","","90","","90","","9058.7","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C47 H42 Cl4 N3 O P2 Re -","- C47 H42 Cl4 N3 O P2 Re -","- C376 H336 Cl32 N24 O8 P16 Re8 -","8","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0847","0.0491","","","0.0922","0.1146","","","","","","1.169","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013928","18.777","0.005","12.749","0.003","6.8213","0.0017","90","","90","","90","","1632.9","0.7","125","2","125","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H14 Cu N4 O2 -","- C19 H13 Cu N4 O2 -","- C76 H52 Cu4 N16 O8 -","4","0.5","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0639","0.0365","","","0.076","0.0832","","","","","","0.969","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013948","12.856","0.007","10.124","0.005","21.322","0.01","90","","90","","90","","2775","2","223.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H46 Co N2 S2 Si2 -","- C18 H46 Co N2 S2 Si2 -","- C72 H184 Co4 N8 S8 Si8 -","4","0.5","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.057","","","","0.176","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014024","18.5572","0.0003","10.9033","0.0002","28.7856","0.0005","90","","90","","90","","5824.33","0.17","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cl F5 P2 Pt -","- C30 H34 Cl F5 P2 Pt -","- C240 H272 Cl8 F40 P16 Pt8 -","8","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.0334","0.024","","","0.0602","0.0751","","","","","","1.116","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014042","15.202","0.003","22.907","0.003","15.135","0.003","90","","90","","90","","5270.5","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(ethoxyethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)","","- C26 H42 Ba O2 -","- C26 H42 Ba O2 -","- C208 H336 Ba8 O16 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.0824","0.043","","","0.0927","0.1078","","","","","","1.019","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014216","15.1092","0.0004","15.3225","0.0004","15.7434","0.0012","90","","90","","90","","3644.8","0.3","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H27 Ag2 F12 N13 P2 -","- C26 H27 Ag2 F12 N13 P2 -","- C104 H108 Ag8 F48 N52 P8 -","4","0.5","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.0912","0.0357","","","0.0799","0.0933","","","","","","0.812","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014371","9.306","0.0006","9.7224","0.0006","8.8777","0.0005","90","","90","","90","","803.22","0.08","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Neodymium Silicon Aluminum Oxynitride","Neodymium Silicon Aluminum Oxynitride","","- Al1.4 N9.6 Nd O0.4 Si5.6 -","- Al1.4 N9.6 Nd O0.4 Si5.6 -","- Al5.6 N38.4 Nd4 O1.6 Si22.4 -","4","0.5","","Huang, Saifang; Huang, Zhaohui; Liu, Yan-gai; Fang, Minghao","Crystal structure of NdSi(6-z)Al(1+z)O(z)N(10-z) (z = 0.4) determined by single-crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1261","1266","10.1039/c0dt00658k","","","0.71073","MoKα","","0.0297","0.0289","","","0.0734","0.0739","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014386","22.3131","0.0009","9.8806","0.0004","18.2309","0.0008","90","","90","","90","","4019.3","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H56 I2 In2 O6 -","- C36 H56 I2 In2 O6 -","- C144 H224 I8 In8 O24 -","4","0.5","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0256","0.0225","","","0.0557","0.0571","","","","","","1.054","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014702","24.0172","0.0013","17.3052","0.0011","14.1228","0.0007","90","","90","","90","","5869.8","0.6","170","2","170","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H18 Co N6 O4 -","- C30 H18 Co N6 O4 -","- C240 H144 Co8 N48 O32 -","8","1","","Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R.","Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","639","650","10.1039/c0dt01078b","","","0.71073","MoKα","","0.0911","0.0691","","","0.1544","0.1623","","","","","","1.154","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014728","12.4408","0.0002","21.6681","0.0005","21.9574","0.0011","90","","90","","90","","5919","0.3","123","2","123","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H57 Cl2 Co Mn N20 O8 -","- C42 H57 Cl2 Co Mn N20 O8 -","- C168 H228 Cl8 Co4 Mn4 N80 O32 -","4","0.5","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54184","CuKα","","0.1177","0.076","","","0.2294","0.2581","","","","","","1.06","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014729","11.586","0.001","17.078","0.001","25.013","0.001","90","","90","","90","","4949.2","0.6","198","2","198","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H88 N6 O6 Zn5 -","- C36 H88 N6 O6 Zn5 -","- C144 H352 N24 O24 Zn20 -","4","0.5","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.0528","0.0373","","","0.0714","0.0752","","","","","","1.065","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7015034","26.3739","0.0006","11.1334","0.0003","10.7486","0.0002","90","","90","","90","","3156.12","0.13","133.1","","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H48 N2 Ni O2 -","- C33 H48 N2 Ni O2 -","- C132 H192 N8 Ni4 O8 -","4","0.5","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0525","","","","0.1597","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015036","26.671","0.0013","11.3844","0.0005","10.1169","0.0005","90","","90","","90","","3071.8","0.3","133.1","","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H48 N2 O2 Pd -","- C33 H46 N2 O2 Pd -","- C132 H184 N8 O8 Pd4 -","4","0.5","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0724","","","","0.2252","","","","","","0.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015076","26.5223","0.0008","10.5201","0.0003","20.1433","0.0005","90","","90","","90","","5620.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H31 Cl2 N5 O10 Zn -","- C26 H31 Cl2 N5 O10 Zn -","- C208 H248 Cl16 N40 O80 Zn8 -","8","1","","Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi","Methoxyquinoline-diethylenetriamine conjugate as a fluorescent zinc sensor.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4976","4981","10.1039/c0dt00791a","","","0.7107","MoKα","","0.0457","0.0445","","","0.1069","0.1079","","","","","","1.046","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015157","13.1262","0.0004","7.401","0.0002","20.7051","0.0005","90","","90","","90","","2011.44","0.1","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H24 N6 O3 S2 -","- C16 H24 N6 O3 S2 -","- C64 H96 N24 O12 S8 -","4","0.5","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0588","0.0392","","","0.1061","0.1124","","","","","","1.006","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015535","15.5617","0.0012","11.3047","0.0009","7.9984","0.0006","90","","90","","90","","1407.08","0.19","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Cu N9 O7 -","- C7 H9 Cu N9 O7 -","- C28 H36 Cu4 N36 O28 -","4","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0266","0.0233","","","0.0631","0.0651","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015543","23.105","0.005","22.054","0.005","23.008","0.006","90","","90","","90","","11724","5","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C101 H108 F10.4 N16 Ni6 O21 Si1.6 -","- C103 H88 F10.4 N16 Ni6 O23 Si1.6 -","- C412 H352 F41.6 N64 Ni24 O92 Si6.4 -","4","0.5","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0748","0.0532","","","0.1612","0.1713","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015554","16.7702","0.0004","11.5282","0.0003","18.6564","0.0003","90","","90","","90","","3606.85","0.14","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H16 B K N8 S -","- C13 H16 B K N8 S -","- C104 H128 B8 K8 N64 S8 -","8","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0522","0.0418","","","0.0907","0.0975","","","","","","1.065","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015799","15.7371","0.0008","16.6448","0.0009","7.4293","0.0004","90","","90","","90","","1946.04","0.18","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H18 Cl2 N O2.5 Pd -","- C18.5 H18 Cl2 N0.5 O2.5 Pd -","- C74 H72 Cl8 N2 O10 Pd4 -","4","0.5","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","","0.71073","MoKα","","0.083","0.0547","","","0.0999","0.1157","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015931","9.01","0.003","7.117","0.002","11.755","0.004","90","","90","","90","","753.8","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C2 H0.5 Mn O4.25 -","- C2 H0.5 Mn O4.25 -","- C16 H4 Mn8 O34 -","8","1","","Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Hao, Xiang; Zhu, Daoben","Mn(C(2)O(4))(H(2)O)(0.25): an antiferromagnetic oxalato-based cage compound.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5430","5432","10.1039/c1dt10346f","","","0.71073","MoKα","","0.0362","0.0356","","","0.0898","0.0902","","","","","","1.314","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016037","11.828","0.0012","17.4871","0.0018","21.696","0.002","90","","90","","90","","4487.5","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H76 K2 N10 Si4 -","- C30 H76 K2 N10 Si4 -","- C120 H304 K8 N40 Si16 -","4","0.5","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0634","0.039","","","0.0921","0.1175","","","","","","1.005","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016061","18.861","0.004","23.944","0.006","18.076","0.004","90","","90","","90","","8163","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 F12 N5 Ti -","- C40 H43 F12 N5 Ti -","- C320 H344 F96 N40 Ti8 -","8","1","","Swartz Ii, Douglas L.; Staples, Richard J.; Odom, Aaron L.","Synthesis and hydroamination catalysis with 3-aryl substituted pyrrolyl and dipyrrolylmethane titanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7762","7768","10.1039/c1dt10127g","","x-ray","0.71073","MoKα","","0.1911","0.0922","","","0.2256","0.3095","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016285","14.698","0.0003","7.7505","0.0002","33.6382","0.0008","90","","90","","90","","3831.96","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H23 N5 -","- C22 H23 N5 -","- C176 H184 N40 -","8","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0432","0.0382","","","0.0988","0.1024","","","","","","1.02","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016376","21.426","0.002","10.0132","0.001","7.9162","0.0008","90","","90","","90","","1698.4","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0662","0.0437","","","0.1069","0.1224","","","","","","0.872","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016417","19.823","0.014","10.425","0.008","18.926","0.014","90","","90","","90","","3911","5","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Hg N2 O4 -","- C18 H26 Hg N2 O4 -","- C144 H208 Hg8 N16 O32 -","8","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.0666","0.0469","","","0.0828","0.0889","","","","","","1.143","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016606","43.056","0.004","28.77","0.002","19.3275","0.0017","90","","90","","90","","23941","3","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C74 H78 In10 N16 Ni2 O4 S19 -","- C65 H52 In10 N13 Ni2 S19 -","- C520 H416 In80 N104 Ni16 S152 -","8","1","","Zhang, Ya-Ping; Zhang, Xu; Mu, Wen-Qin; Luo, Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Indium sulfide clusters integrated with 2,2'-bipyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9746","9751","10.1039/c1dt10153f","","","0.71075","MoKα","","0.1355","0.0987","","","0.1565","0.1723","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016747","10.8302","0.0002","26.1898","0.0005","13.3993","0.0002","90","","90","","90","","3800.59","0.12","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C32 H26 Br2 Cl4 N4 O6 Pd2 S2 -","- C32 H26 Br2 Cl4 N4 O6 Pd2 S2 -","- C128 H104 Br8 Cl16 N16 O24 Pd8 S8 -","4","0.5","","Mancilha, Fabiana S.; Barloy, Laurent; Rodembusch, Fabiano S.; Dupont, Jairton; Pfeffer, Michel","Cyclopalladated complexes of 4-aryl-2,1,3-benzothiadiazoles: new emitters in solution at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10535","10544","10.1039/c1dt10666j","","","0.71073","MoKα","","0.0659","0.0407","","","0.115","0.1437","","","","","","1.182","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016789","20.64","0.01","13.514","0.008","11.361","0.007","90","","90","","90","","3169","3","213","","213","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H20 Cl2 F6 Fe2 O4 S2 -","- C30 H18 Cl2 F6 Fe2 O4 S2 -","- C120 H72 Cl8 F24 Fe8 O16 S8 -","4","0.5","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.7107","MoKα","","","0.058","","","","0.2261","","","","","","1.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016898","20.925","0.002","13.954","0.001","17.605","0.002","90","","90","","90","","5140.4","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Fe(II)(NCSe)2(DDE)2]","[Fe(II)(NCSe)2(DDE)2]","","- C44 H56 Fe N18 Se2 -","- C44 H36 Fe N18 Se2 -","- C176 H144 Fe4 N72 Se8 -","4","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.1264","0.069","","","0.2109","0.259","","","","","","1.037","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016901","20.902","0.003","13.893","0.002","17.592","0.002","90","","90","","90","","5108.6","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Co(II)(NCSe)2(DDE)2]","[Co(II)(NCSe)2(DDE)2]","","- C44 H56 Co N18 Se2 -","- C44 H46 Co N18 Se2 -","- C176 H184 Co4 N72 Se8 -","4","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.2802","0.0902","","","0.2186","0.3449","","","","","","0.946","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7017163","18.217","0.008","8.519","0.004","17.009","0.008","90","","90","","90","","2640","2","89","2","89","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H24 Cl2 Mn N6 O8 -","- C24 H24 Cl2 Mn N6 O8 -","- C96 H96 Cl8 Mn4 N24 O32 -","4","0.5","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71069","MoKα","","0.0476","0.0388","","","0.0987","0.1039","","","","","","1.079","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017340","21.776","0.002","11.5108","0.0011","19.0161","0.0018","90","","90","","90","","4766.6","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H46 F12 Fe2 N6 P2 Zn -","- C46 H46 F12 Fe2 N6 P2 Zn -","- C184 H184 F48 Fe8 N24 P8 Zn4 -","4","0.5","","Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11904","11913","10.1039/c1dt11102g","","","0.71073","MoKα","","0.142","0.0716","","","0.17","0.2071","","","","","","1.021","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017419","16.7762","0.0006","17.0143","0.0006","14.2531","0.0005","90","","90","","90","","4068.3","0.2","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H54 Co2 O9 Zn3 -","- C38 H54 Co2 O9 Zn3 -","- C152 H216 Co8 O36 Zn12 -","4","0.5","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.0578","0.0341","","","0.0647","0.0733","","","","","","1.036","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017448","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; Utko, Józef; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Design of a magnesium-pridinolum complex for polylactide-drug conjugates formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12660","12662","10.1039/c1dt11545f","","","0.71073","MoKα","","0.1268","0.0571","","","0.1269","0.1444","","","","","","0.926","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017671","8.4669","0.0002","14.9498","0.0004","26.8694","0.0009","90","","90","","90","","3401.09","0.17","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","6b","","","- C38 H38 Ca O2 P2 -","- C38 H38 Ca O2 P2 -","- C152 H152 Ca4 O8 P8 -","4","0.5","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.7107","MoKα","","0.0629","0.0408","","","0.0871","0.0961","","","","","","1.02","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017829","11.397","0.003","17.772","0.004","22.892","0.005","90","","90","","90","","4636.7","1.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H68 Li4 N4 O6 -","- C48 H68 Li4 N4 O6 -","- C192 H272 Li16 N16 O24 -","4","0.5","","Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","442","447","10.1039/c1dt11498k","","","0.71073","MoKα","","0.0543","0.0386","","","0.1029","0.1077","","","","","","1.064","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017865","7.7164","0.0003","10.3973","0.0004","26.4771","0.0015","90","","90","","90","","2124.25","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H22 Fe2 S3 -","- C23 H22 Fe2 S3 -","- C92 H88 Fe8 S12 -","4","0.5","","Singh, Santosh K.; Chauhan, Ratna; Singh, Bandana; Diwan, Kiran; Kociok-Köhn, Gabriele; Bahadur, Lal; Singh, Nanhai","Enhanced light harvesting efficiencies of bis(ferrocenylmethyl)-based sulfur rich sensitizers used in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1373","1380","10.1039/c1dt11576f","","","0.71073","MoKα","","0.0757","0.0439","","","0.1115","0.1198","","","","","","0.985","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7018062","21.3933","0.0005","14.6257","0.0004","16.3348","0.0004","90","","90","","90","","5111","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H84 B2 Li4 N12 O2 -","- C40 H84 B2 Li4 N12 O2 -","- C160 H336 B8 Li16 N48 O8 -","4","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0839","0.06","","","0.1641","0.182","","","","","","1.041","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018230","15.745","0.007","10.066","0.004","22.162","0.009","90","","90","","90","","3512","3","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H13 Br3 Te -","- C18 H13 Br3 Te -","- C144 H104 Br24 Te8 -","8","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0988","0.0801","","","","0.2488","","","","","","1.405","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018243","18.0899","0.0016","12.209","0.002","18.3131","0.0019","90","","90","","90","","4044.6","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H38 F12 N6 P2 Ru -","- C38 H38 F12 N6 P2 Ru -","- C152 H152 F48 N24 P8 Ru4 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2890","2897","10.1039/c2dt12142e","","","0.71073","MoKα","","0.0753","0.0695","","","0.1674","0.171","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018244","18.2002","0.0011","12.1791","0.0006","18.2223","0.001","90","","90","","90","","4039.2","0.4","123","","123","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H38 F12 N6 P2 Zn -","- C38 H38 F12 N6 P2 Zn -","- C152 H152 F48 N24 P8 Zn4 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2890","2897","10.1039/c2dt12142e","","","0.71073","MoKα","","0.1007","0.05","","0.0694","0.0407","0.0444","","","","","","1.1218","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018251","9.487","0.006","7.862","0.005","18.145","0.013","90","","90","","90","","1353.4","1.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 Ni S2 -","- C10 H22 N2 Ni S2 -","- C40 H88 N8 Ni4 S8 -","4","0.5","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.1009","0.0632","","","0.1451","0.1641","","","","","","0.966","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018331","25.0773","0.0004","22.125","0.0003","19.9043","0.0003","90","","90","","90","","11043.6","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C56 H91 Eu O8 -","- C56 H91 Eu O8 -","- C448 H728 Eu8 O64 -","8","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.7107","MoKα","","0.0697","0.0479","","","0.1138","0.1308","","","","","","1.146","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018333","25.234","0.002","22.3796","0.0015","20.028","0.0017","90","","90","","90","","11310.3","1.5","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","SQ","","","- C56 H91 Nd O8 -","- C48 H75 Nd O6 -","- C384 H600 Nd8 O48 -","8","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0866","0.0568","","","0.164","0.1752","","","","","","1.114","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018414","21.151","0.002","16.3","0.001","7.921","0.001","90","","90","","90","","2730.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 N4 Pt S4 -","- C26 H20 N4 Pt S4 -","- C104 H80 N16 Pt4 S16 -","4","0.5","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Artizzu, Flavia; Serpe, Angela; Mercuri, Maria Laura; Simão, Dulce; Almeida, Manuel; Pizzotti, Maddalena; Tessore, Francesca; Deplano, Paola","Mixed-ligand Pt(ii) dithione-dithiolato complexes: influence of the dicyanobenzodithiolato ligand on the second-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3485","3493","10.1039/c2dt11956k","","","0.71073","MoKα","","0.061","0.0286","","","0.0561","0.0656","","","","","","1.004","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018691","16.775","0.002","11.9723","0.0015","14.055","0.0016","90","","90","","90","","2822.7","0.6","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cu2 N8 O12 -","- C26 H20 Cu2 N8 O12 -","- C104 H80 Cu8 N32 O48 -","4","0.5","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.0471","0.0369","","","0.0996","0.1062","","","","","","1.052","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018697","16.793","0.0003","10.5974","0.0002","18.5857","0.0004","90","","90","","90","","3307.55","0.11","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H37 Bi N6 O14 -","- C27 H33 Bi N6 O14 -","- C108 H132 Bi4 N24 O56 -","4","0.5","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","1.54184","CuKα","","0.0478","0.0377","","","0.0888","0.0943","","","","","","1.206","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018726","20.5512","0.0003","8.8009","0.0001","20.57","0.0003","90","","90","","90","","3720.48","0.09","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H12 Br2 F24 Ge2 -","- C32 H12 Br2 F24 Ge2 -","- C128 H48 Br8 F96 Ge8 -","4","0.5","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.0405","0.0291","","","0.0706","0.0774","","","","","","1.027","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018817","16.726","0.003","12.202","0.002","15.212","0.003","90","","90","","90","","3104.6","1","370","2","370","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C104 H72 B8 F32 Fe4 N40 -","4","0.5","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.1529","0.0652","","","0.1646","0.2137","","","","","","0.937","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018829","12.7525","0.0018","18.711","0.003","14.771","0.002","90","","90","","90","","3524.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Cu2 N5.5 -","- C18 H12 Cu2 N5.5 -","- C144 H96 Cu16 N44 -","8","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0647","0.0448","","","0.1263","0.1426","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019083","20.6935","0.0008","18.2786","0.0007","23.6859","0.001","90","","90","","90","","8959.1","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C104 H78 Ag6 N8 O14 -","- C104 H78 Ag6 N8 O14 -","- C416 H312 Ag24 N32 O56 -","4","0.5","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.0475","0.0316","","","0.0695","0.0765","","","","","","1.025","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019428","11.9308","0.0012","18.9239","0.0012","22.4189","0.0015","90","","90","","90","","5061.7","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[1,3,5,7-tetrakis(1,2,4-triazol-4-yl)adamantane]silver(I) Nitrate, Solvate with 3.5 Water","","- C18 H27 Ag N13 O6.5 -","- C18 H27 Ag N13 O6.5 -","- C144 H216 Ag8 N104 O52 -","8","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1094","0.0541","","","0.1325","0.1534","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019491","17.4573","0.0007","15.6748","0.0006","16.6134","0.0006","90","","90","","90","","4546.1","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H38 F12 N12 P2 Ru -","- C42 H38 F12 N12 P2 Ru -","- C168 H152 F48 N48 P8 Ru4 -","4","0.5","","Welby, Christine E.; Grkinic, Stev; Zahid, Adam; Uppal, Baljinder S.; Gibson, Elizabeth A.; Rice, Craig R.; Elliott, Paul I. P.","Synthesis, characterisation and theoretical study of ruthenium 4,4'-bi-1,2,3-triazolyl complexes: fundamental switching of the nature of S(1) and T(1) states from MLCT to MC.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7637","7646","10.1039/c2dt30510k","","","0.71073","","","0.0634","0.0452","","","0.128","0.1445","","","","","","0.977","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019500","15.775","0.0009","12.1317","0.0008","17.557","0.0012","90","","90","","90","","3360","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Cl2 N6 Pd -","- C36 H38 Cl2 N6 Pd -","- C144 H152 Cl8 N24 Pd4 -","4","0.5","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.0478","0.0292","","","0.0623","0.067","","","","","","1.051","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019514","24.677","0.003","18.0396","0.0019","17.2999","0.0018","90","","90","","90","","7701.3","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H13 N10 O21 V5 Zn3 -","- C9 H13 N10 O21 V5 Zn3 -","- C72 H104 N80 O168 V40 Zn24 -","8","1","","Xu, Wentao; Jiang, Feilong; Zhou, Youfu; Xiong, Kecai; Chen, Lian; Yang, Ming; Feng, Rui; Hong, Maochun","Three novel organic-inorganic complexes based on decavanadate [V(10)O(28)](6-) units: special water layers, open 3D frameworks and yellow/blue luminescences.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7737","7745","10.1039/c2dt30532a","","","0.71073","MoKα","","0.058","0.0527","","","0.1501","0.1578","","","","","","1.086","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019591","21.732","0.0018","25.715","0.002","26.451","0.002","90","","90","","90","","14782","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H72 As8 N17 O68 V16 -","- C67 H72 As8 N17 O68 V16 -","- C268 H288 As32 N68 O272 V64 -","4","0.5","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.0942","0.0728","","","0.2015","0.2122","","","","","","1.065","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019653","21.398","0.014","32.298","0.014","20.891","0.021","90","","90","","90","","14438","18","187","2","187","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H16 Co6 N6 O46 P W9 -","- C18 H16 Co6 N6 O46 P W9 -","- C144 H128 Co48 N48 O368 P8 W72 -","8","1","","Wang, Xiuli; Liu, Xiaojing; Tian, Aixiang; Ying, Jun; Lin, Hongyan; Liu, Guocheng; Gao, Qiang","A novel 2D →3D {Co(6)PW(9)}-based framework extended by semi-rigid bis(triazole) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9587","9589","10.1039/c2dt00039c","","","0.71073","MoKα","","0.0603","0.0506","","","0.1084","0.1115","","","","","","1.147","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019766","16.527","0.007","14.789","0.006","13.593","0.006","90","","90","","90","","3322","2","238","2","238","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H40 Br2 Mg2 N6 O Si2 -","- C22 H40 Br2 Mg2 N6 O Si2 -","- C88 H160 Br8 Mg8 N24 O4 Si8 -","4","0.5","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.1123","0.0537","","","0.1504","0.2206","","","","","","1.021","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019824","37.59","0.001","19.892","0.001","29.9544","0.0007","90","","90","","90","","22398.1","1.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C304 H162 Mg4 N44 O2 -","- C304 H162 Mg4 N44 O2 -","- C1216 H648 Mg16 N176 O8 -","4","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Formation of μ(2)-hydroxo-bonded (MgPc)(2)OH(-) assemblies and (C(60)(-))(2) dimers in ionic fullerene {(MgPc)(2)OH(-)}(2)·(C(60)(-))(2)·(cation(+))(4) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9170","9175","10.1039/c2dt30701d","","","0.71073","MoKα","","0.0845","0.0607","","","0.1577","0.1686","","","","","","1.012","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019878","12.811","0.004","14.946","0.004","8.938","0.002","90","","90","","90","","1711.4","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl N5 Pd -","- C16 H20 Cl N5 Pd -","- C64 H80 Cl4 N20 Pd4 -","4","0.5","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.1087","0.0439","","","0.0839","0.1077","","","","","","0.993","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019927","25.057","0.0016","11.1882","0.0004","13.0591","0.0009","90","","90","","90","","3661","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H16 Ag4 N2 O11 -","- C11 H16 Ag4 N2 O11 -","- C88 H128 Ag32 N16 O88 -","8","1","","Li, Bo; Ji, Can; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Benzenepolycarboxylate-templated assembly of silver coordination polymers exhibiting argentophilic honeycomb layer and tubular motifs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9151","9153","10.1039/c2dt31160g","","","0.71073","MoKα","","0.1059","0.0815","","","0.2761","0.2981","","","","","","1.083","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019928","18.1669","0.0013","13.5876","0.0007","6.4273","0.0004","90","","90","","90","","1586.54","0.17","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H5 Ag5 O12 -","- C11 H5 Ag5 O12 -","- C44 H20 Ag20 O48 -","4","0.5","","Li, Bo; Ji, Can; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Benzenepolycarboxylate-templated assembly of silver coordination polymers exhibiting argentophilic honeycomb layer and tubular motifs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9151","9153","10.1039/c2dt31160g","","","0.71073","MoKα","","0.0621","0.0547","","","0.1742","0.1832","","","","","","1.047","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019946","16.9674","0.0011","10.6721","0.0007","18.6477","0.0012","90","","90","","90","","3376.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H36 N3 O16 Tb -","- C29 H37 N3 O16 Tb -","- C116 H148 N12 O64 Tb4 -","4","0.5","","Wang, Xin; Yang, Yu-Lin; Wang, Ping; Li, Liang; Fan, Rui-Qing; Cao, Wen-Wu; Yang, Bin; Wang, Hui; Liu, Jing-Yao","High efficiency co-sensitized solar cell based on luminescent lanthanide complexes with pyridine-2,6-dicarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10619","10625","10.1039/c2dt30430a","","","0.71073","MoKα","","0.0538","0.0482","","","0.1211","0.1248","","","","","","0.967","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019947","16.947","0.003","10.654","0.002","18.659","0.004","90","","90","","90","","3368.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H36 Dy N3 O16 -","- C29 H35 Dy N3 O16 -","- C116 H140 Dy4 N12 O64 -","4","0.5","","Wang, Xin; Yang, Yu-Lin; Wang, Ping; Li, Liang; Fan, Rui-Qing; Cao, Wen-Wu; Yang, Bin; Wang, Hui; Liu, Jing-Yao","High efficiency co-sensitized solar cell based on luminescent lanthanide complexes with pyridine-2,6-dicarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10619","10625","10.1039/c2dt30430a","","","0.71073","MoKα","","0.0476","0.0351","","","0.0887","0.0961","","","","","","0.961","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7020451","12.6348","0.0008","22.0849","0.0013","19.8889","0.0012","90","","90","","90","","5549.8","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C45 H48 Cl2 F6 N8 O6 Pt2 S2 -","- C45 H48 Cl2 F6 N8 O6 Pt2 S2 -","- C180 H192 Cl8 F24 N32 O24 Pt8 S8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.1051","0.057","","","0.119","0.1309","","","","","","1.042","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020518","26.479","0.004","12.5536","0.0018","19.03","0.003","90","","90","","90","","6325.7","1.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H70 Cl4 Mo P6 Si2 -","- C62 H70 Cl4 Mo P6 Si2 -","- C248 H280 Cl16 Mo4 P24 Si8 -","4","0.5","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.1113","0.085","","","0.2232","0.2386","","","","","","1.201","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020536","39.015","0.002","11.2329","0.0005","11.1105","0.0007","90","","90","","90","","4869.2","0.5","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H35 Cu N5 O6 -","- C20 H35 Cu N5 O6 -","- C160 H280 Cu8 N40 O48 -","8","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","0.71073","MoKα","","0.0877","0.0567","","","0.11","0.116","","","","","","1.029","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020566","22.621","0.007","11.489","0.003","25.264","0.007","90","","90","","90","","6566","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H69 N20 O11.5 P4 -","- C44 H69 N20 O11.5 P4 -","- C176 H276 N80 O46 P16 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Chen, Qihui; Bu, Yang; Hong, Maochun","Three novel 3D coordination polymers based on a flexible multisite cyclotetraphosphazene ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14038","14041","10.1039/c2dt31852k","","","0.71073","MoKα","","0.0898","0.0778","","","0.2219","0.2342","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020819","11.5649","0.0004","8.9009","0.0003","8.3936","0.0003","90","","90","","90","","864.02","0.05","150","1","150","1","","","","","","","synthesized by the authors","5","P b c n","-P 2n 2ab","60","","","","- C3 H14 N2 O5 P2 -","- C3 H14 N2 O5 P2 -","- C12 H56 N8 O20 P8 -","4","0.5","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0246","0.0232","","","0.069","0.0702","","","","","","1.127","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021032","26.921","0.005","7.7572","0.0016","19.322","0.004","90","","90","","90","","4035","1.4","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26.5 H17 Cl N2 S -","- C26.5 H17 Cl N2 S -","- C212 H136 Cl8 N16 S8 -","8","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0623","0.0437","","","0.101","0.111","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021199","20.6181","0.0012","12.8667","0.0007","19.8917","0.0011","90","","90","","90","","5277","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H48 Ag4 Cl4 I4 N8 -","- C42 H48 Ag4 Cl4 I4 N8 -","- C168 H192 Ag16 Cl16 I16 N32 -","4","0.5","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","0.71073","MoKα","","0.0554","0.0376","","","0.0753","0.0835","","","","","","1.042","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021227","21.297","0.002","18.653","0.005","15.986","0.004","90","","90","","90","","6350","2","198","","198","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C27.5 H24 Br4 Cl3 N4 Pd -","- C27.5 H24 Br4 Cl3 N4 Pd -","- C220 H192 Br32 Cl24 N32 Pd8 -","8","1","","Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas","ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7297","7304","10.1039/c3dt33006k","","x-ray","0.71073","MoKα","","0.0573","0.0321","","","0.0477","0.0537","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021249","12.409","0.01","13.286","0.011","11.917","0.01","90","","90","","90","","1965","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Co F5 O2 P2 -","- C14 H19 Co F5 O2 P2 -","- C56 H76 Co4 F20 O8 P8 -","4","0.5","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.1076","0.0539","","","0.1259","0.1639","","","","","","1.085","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021282","17.3027","0.001","23.6427","0.0014","16.8268","0.001","90","","90","","90","","6883.6","0.7","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70 H96 Cl2 Co2 N6 O -","- C70 H96 Cl2 Co2 N6 O -","- C280 H384 Cl8 Co8 N24 O4 -","4","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.1015","0.0502","","","0.108","0.1331","","","","","","1.04","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021284","23.886","0.003","9.2712","0.0009","24.553","0.003","90","","90","","90","","5437.3","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H27 Br2 N7 O Pd -","- C26 H27 Br2 N7 O Pd -","- C208 H216 Br16 N56 O8 Pd8 -","8","1","","Huynh, Han Vinh; Lee, Chen-Shiang","Pincer-type di(1,2,4-triazolin-5-ylidene)Pd(ii) complexes and their catalytic activities towards Cu- and amine-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6803","6809","10.1039/c3dt50237f","","","0.71073","MoKα","","0.1229","0.0649","","","0.1486","0.1695","","","","","","1.013","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021357","25.9151","0.0001","14.1744","0.0001","20.6042","0.0001","90","","90","","90","","7568.56","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H34 N6 O10 Zn -","- C40 H34 N6 O10 Zn -","- C320 H272 N48 O80 Zn8 -","8","1","","Leong, Chanel F.; Faust, Thomas B.; Turner, Peter; Usov, Pavel M.; Kepert, Cameron J.; Babarao, Ravichandar; Thornton, Aaron W.; D'Alessandro, Deanna M","Enhancing selective CO2 adsorption via chemical reduction of a redox-active metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9831","9839","10.1039/c3dt00083d","","","1.5418","CuKα","","0.0551","0.0523","","","0.1703","0.1749","","","","","","1.18","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021390","16.1877","0.0003","8.5356","0.0002","20.2585","0.0004","90","","90","","90","","2799.15","0.1","","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","ZBP-Cs","","","- C12 H8.44 Cs2 O19.22 P6 Zn5 -","- C12 H6 Cs2 O19.218 P6 Zn5 -","- C48 H24 Cs8 O76.872 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01138","","","","","","0.01233","0.01912","1.8267","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021751","10.4904","0.0006","16.2621","0.0009","16.5574","0.0008","90","","90","","90","","2824.6","0.3","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H20 Cu F6 N4 O6 S2 -","- C22 H20 Cu F6 N4 O6 S2 -","- C88 H80 Cu4 F24 N16 O24 S8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0349","","","","0.0966","","","","","","1.095","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021752","10.5114","0.0003","16.0893","0.0006","15.1197","0.0004","90","","90","","90","","2557.06","0.14","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cu N4 O6 S2 -","- C22 H26 Cu N4 O6 S2 -","- C88 H104 Cu4 N16 O24 S8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0284","","","","0.0799","","","","","","1.109","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021754","15.2828","0.0005","15.7662","0.0006","13.1923","0.0004","90","","90","","90","","3178.71","0.19","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H32 B2 Cu F8 N4 O2 -","- C26 H32 B2 Cu F8 N4 O2 -","- C104 H128 B8 Cu4 F32 N16 O8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","0.0501","0.0422","","","0.1216","0.1276","","","","","","1.065","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021835","16.929","0.0013","11.0728","0.0009","15.1442","0.0012","90","","90","","90","","2838.8","0.4","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 N2 O7 V -","- C14 H9 N2 O7 V -","- C112 H72 N16 O56 V8 -","8","1","","Patra, Swarup; Chatterjee, Suparna; Si, Tapan Kr; Mukherjea, Kalyan K.","Synthesis, structural characterization, VHPO mimicking peroxidative bromination and DNA nuclease activity of oxovanadium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13425","13435","10.1039/c3dt51291f","","","0.71073","MoKα","","0.0457","0.0359","","","0.1075","0.118","","","","","","0.818","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7022011","16.7645","0.0007","28.2743","0.0012","18.2405","0.0008","90","","90","","90","","8646.1","0.6","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C78 H74 Cd2 F24 N4 O16 Tb2 -","- C78 H74 Cd2 F24 N4 O16 Tb2 -","- C312 H296 Cd8 F96 N16 O64 Tb8 -","4","0.5","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.1115","0.0556","","","0.147","0.1682","","","","","","1.081","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022289","17.662","0.005","8.804","0.005","18.188","0.005","90","0.005","90","0.005","90","0.005","2828","2","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H40 Co N6 O8 -","- C26 H32 Co N6 O8 -","- C104 H128 Co4 N24 O32 -","4","0.5","","Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2902","2912","10.1039/c2dt32278a","","","0.71073","MoKα","","0.1218","0.0732","","","0.1744","0.1973","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022318","15.3218","0.0002","15.5131","0.0002","23.0555","0.0003","90","","90","","90","","5480.03","0.12","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H82 Ca2 N8 O2 Si4 -","- C42 H82 Ca2 N8 O2 Si4 -","- C168 H328 Ca8 N32 O8 Si16 -","4","0.5","","Huang, Tzu-Lun; Chen, Chi-Tien","Calcium complexes containing oxalamidinate ligands as catalysts for ε-caprolactone polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9255","9262","10.1039/c2dt32300a","","","0.71073","MoKα","","0.0624","0.0442","","","0.1353","0.1429","","","","","","1.005","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022482","16.936","0.0004","12.3483","0.0008","20.2453","0.0007","90","","90","","90","","4233.9","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 Cu N4 O5 -","- C24 H16 Cu N4 O5 -","- C192 H128 Cu8 N32 O40 -","8","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0461","0.0376","","","0.0987","0.1056","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022738","17.895","0.005","18.391","0.005","16.676","0.004","90","","90","","90","","5488","3","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H45 N6 O40 P W12 -","- C24 H45 N6 O40 P W12 -","- C96 H180 N24 O160 P4 W48 -","4","0.5","","Chen, Dianyu; Sahasrabudhe, Atharva; Wang, Peng; Dasgupta, Arijit; Yuan, Rongxin; Roy, Soumyajit","Synthesis and properties of a novel quarternerized imidazolium [α-PW12O40]3- salt as a recoverable photo-polymerization catalyst.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10587","10596","10.1039/c3dt32916j","","","0.71073","MoKα","","0.0603","0.0406","","","0.0767","0.0805","","","","","","1.002","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022815","10.9303","0.0012","11.0153","0.0012","19.836","0.002","90","","90","","90","","2388.3","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6-bis(1-phenyl-1H-benzo[d]imidazol-2-yl)pyridine","2,6-bis(1-phenyl-1H-benzo[d]imidazol-2-yl)pyridine","","- C31 H21 N5 -","- C31 H21 N5 -","- C124 H84 N20 -","4","0.5","","Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng","Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5932","5940","10.1039/c3dt33077j","","","0.71073","MoKα","","0.0498","0.0352","","","0.083","0.0929","","","","","","1.032","","","","has coordinates","201217","2020-10-21","18:00:00",""
"7022827","27.586","0.004","13.543","0.002","21.015","0.003","90","","90","","90","","7851","2","150.1","","150","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C33 H28.5 F12 N7.5 P2 Pd Pt S2 -","- C33 H28.5 F12 N7.5 P2 Pd Pt S2 -","- C264 H228 F96 N60 P16 Pd8 Pt8 S16 -","8","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Vapour and mechanically induced chromic behaviour of platinum complexes with a dimer-of-dimer motif and the effects of heterometal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5514","5523","10.1039/c3dt33100h","","","0.7107","MoKα","","","0.0605","","","","0.1087","","","","","","1.313","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022919","16.7382","0.0006","17.1151","0.0006","15.2211","0.0005","90","","90","","90","","4360.5","0.3","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H56 Al2 Cl2 N2 O2 -","- C43 H56 Al2 Cl2 N2 O2 -","- C172 H224 Al8 Cl8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0611","0.0479","","","0.1229","0.1339","","","","","","1.052","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7023010","20.941","0.004","20.129","0.004","16.916","0.003","90","","90","","90","","7130","2","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C81 H66 F12 Ir2 N10 P2 -","- C81 H66 F12 Ir2 N10 P2 -","- C324 H264 F48 Ir8 N40 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0484","0.0431","","","0.0828","0.0848","","","","","","1.239","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023252","11.664","0.005","11.683","0.005","19.847","0.008","90","","90","","90","","2705","2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N2 O5 S Zn -","- C11 H11 N2 O5 S Zn -","- C88 H88 N16 O40 S8 Zn8 -","8","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.05","0.0368","","","0.1083","0.1196","","","","","","1.017","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023380","12.1846","0.0004","14.9832","0.0004","13.1581","0.0004","90","","90","","90","","2402.2","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H24 Cu4 N10 O2 -","- C16 H20 Cu4 N10 O2 -","- C64 H80 Cu16 N40 O8 -","4","0.5","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0522","0.0423","","","0.1163","0.1257","","","","","","1.03","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023510","7.556","0.0015","28.392","0.007","27.854","0.006","90","","90","","90","","5976","2","123","2","123","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C69 H46 Br4 Cl2 Cu F6 N4 P -","- C69 H46 Br4 Cl2 Cu F6 N4 P -","- C276 H184 Br16 Cl8 Cu4 F24 N16 P4 -","4","0.5","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.2739","0.0825","","","0.128","0.1881","","","","","","0.933","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023894","22","0.004","15","0.003","24","0.005","90","","90","","90","","7920","3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H46 N12 Ni O41 V W12 -","- C42 H38 N12 Ni O41 V W12 -","- C168 H152 N48 Ni4 O164 V4 W48 -","4","0.5","","Lan, Qing; Zhang, Jun; Zhang, Zhi-Ming; Lu, Ying; Wang, En-Bo","Two three-dimensional porous frameworks built from metal-organic coordination polymer sheets pillared by polyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16602","16607","10.1039/c3dt51722e","","","0.71073","MoKα","","0.083","0.0671","","","0.169","0.1779","","","","","","1.1","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023895","22.024","0.004","15.065","0.003","24.12","0.005","90","","90","","90","","8003","3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H48 Co N12 O42 V W12 -","- C42 H28 Co N12 O42 V W12 -","- C168 H112 Co4 N48 O168 V4 W48 -","4","0.5","","Lan, Qing; Zhang, Jun; Zhang, Zhi-Ming; Lu, Ying; Wang, En-Bo","Two three-dimensional porous frameworks built from metal-organic coordination polymer sheets pillared by polyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16602","16607","10.1039/c3dt51722e","","","0.71073","MoKα","","0.0915","0.0784","","","0.1951","0.2023","","","","","","1.101","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023904","16.646","0.003","19.181","0.004","17.078","0.003","90","","90","","90","","5452.8","1.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H60 Fe N18 O4 S2 -","- C48 H60 Fe N18 O4 S2 -","- C192 H240 Fe4 N72 O16 S8 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.1108","0.0648","","","0.1567","0.1751","","","","","","1.075","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023905","16.781","0.003","19.268","0.004","17.107","0.003","90","","90","","90","","5531.3","1.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H60 Fe N18 O4 Se2 -","- C48 H60 Fe N18 O4 Se2 -","- C192 H240 Fe4 N72 O16 Se8 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.1933","0.0855","","","0.1813","0.2171","","","","","","0.946","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023906","16.6573","0.0008","19.2632","0.0009","16.8981","0.0007","90","","90","","90","","5422.1","0.4","123","2","123","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H68 B2 Cl2 Fe N18 O4 -","- C49 H68 B2 Cl2 Fe N18 O4 -","- C196 H272 B8 Cl8 Fe4 N72 O16 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.0984","0.0676","","","0.1839","0.2049","","","","","","1.045","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023925","22.9568","0.0015","13.2642","0.0009","19.3659","0.0013","90","","90","","90","","5897","0.7","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co2 N14 O14 S3 -","- C54 H46 Co2 N14 O14 S3 -","- C216 H184 Co8 N56 O56 S12 -","4","0.5","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0627","0.0495","","","0.1469","0.1586","","","","","","1.062","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024031","28.978","0.01","10.206","0.004","20.391","0.007","90","","90","","90","","6031","4","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H36 Fe N2 O2 -","- C34 H36 Fe N2 O2 -","- C272 H288 Fe8 N16 O16 -","8","1","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.0954","0.0555","","","0.113","0.128","","","","","","1.026","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024111","23.8915","0.0005","11.6189","0.0003","23.1604","0.0005","90","","90","","90","","6429.2","0.3","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}iron(II) hexafluorophosphate","","- C70 H62 F12 Fe N6 O4 P2 -","- C70 H62 F12 Fe N6 O4 P2 -","- C280 H248 F48 Fe4 N24 O16 P8 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.104","0.0699","","","0.1778","0.2015","","","","","","1.087","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024185","12.4091","0.0012","10.8412","0.0008","33.848","0.003","90","","90","","90","","4553.6","0.7","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H54 N6 O4 Ru -","- C52 H32 N6 O4 Ru -","- C208 H128 N24 O16 Ru4 -","4","0.5","","Hall, Jeremy D.; McLean, Tracey M.; Smalley, Serena J.; Waterland, Mark R.; Telfer, Shane G.","Chromophoric dipyrrin complexes capable of binding to TiO2: synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","437","445","10.1039/b912332f","","","1.54178","CuKα","","0.1393","0.1215","","","0.2716","0.2901","","","","","","1.066","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024431","16.8492","0.0005","24.7009","0.0008","10.5521","0.0003","90","","90","","90","","4391.7","0.2","150","2","150","2","","","","","","","Ross Forgan","6","P b c n","-P 2n 2ab","60","","","","- C35.75 H53.75 Br4 Cu2 N5.75 O4 -","- C34 H52 Br4 Cu2 N4 O4 -","- C136 H208 Br16 Cu8 N16 O16 -","4","0.5","","Forgan, Ross S.; Davidson, James E.; Fabbiani, Francesca P. A.; Galbraith, Stuart G.; Henderson, David K.; Moggach, Stephen A.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Cation and anion selectivity of zwitterionic salicylaldoxime metal salt extractants.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1763","1770","10.1039/b916877j","","","0.71073","MoKα","","0.0517","0.0354","","","0.0849","0.0895","","","","","","1.061","","","","has coordinates,has disorder","179949","2020-10-21","18:00:00",""
"7024470","20.661","0.002","8.9103","0.001","11.155","0.0012","90","","90","","90","","2053.6","0.4","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 Mn N6 O2 -","- C24 H20 Mn N6 O2 -","- C96 H80 Mn4 N24 O8 -","4","0.5","","Tang, Jinkui; Nayak, Sanjit; Costa, José Sánchez; Robertazzi, Arturo; Pievo, Roberta; Mutikainen, Ilpo; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Manganese(III)-mediated cyclodimerization of a hydrazinyl derivative generating an unprecedented 1,2,3,5,6-substituted leuco-verdazyl ring.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1361","1365","10.1039/b917410a","","","0.7749","synchrotron","","0.0541","0.0445","","","0.1194","0.1274","","","","","","1.043","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024494","32.574","0.007","15.321","0.003","11.775","0.003","90","","90","","90","","5877","2","293","2","293","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C29 H20 Cl1.5 Co F3 N5 O6 P0.5 S -","- C29 H20 Cl1.5 Co F3 N5 O6 P0.5 S -","- C232 H160 Cl12 Co8 F24 N40 O48 P4 S8 -","8","1","","Lahiri, Debojyoti; Roy, Sovan; Saha, Sounik; Majumdar, Ritankar; Dighe, Rajan R.; Chakravarty, Akhil R.","Anaerobic DNA cleavage activity in red light and photocytotoxicity of (pyridine-2-thiol)cobalt(III) complexes of phenanthroline bases.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1807","1816","10.1039/b917860k","","","0.71073","MoKα","","0.2101","0.0941","","","0.1785","0.2317","","","","","","1.027","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7025246","11.316","0.002","16.802","0.004","15.148","0.003","90","","90","","90","","2880.1","1","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","trans-N3P3(NHCH2CH2S)3","","","- C6 H15 N6 P3 S3 -","- C6.048 H15.115 N6.019 P3 S3.019 -","- C48.384 H120.92 N48.152 P24 S24.152 -","8","1","","Fushimi, Toshiki; Allcock, Harry R.","Synthesis and optical properties of sulfur-containing monomers and cyclomatrix polyphosphazenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5349","5355","10.1039/b926069b","","","0.71073","MoKα","","0.0584","0.0538","","","0.1287","0.1306","","","","","","1.268","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025365","13.7041","0.0016","4.482","0.0005","9.4608","0.0012","90","","90","","90","","581.1","0.12","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B2 Ge Nd2 O8 -","- B2 Ge Nd2 O8 -","- B8 Ge4 Nd8 O32 -","4","0.5","","Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao","Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5301","5305","10.1039/b927300j","","","0.71073","MoKα","","0.0245","0.0243","","","0.0619","0.062","","","","","","1.151","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025366","13.606","0.006","4.451","0.002","9.367","0.004","90","","90","","90","","567.3","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B2 Ge O8 Sm2 -","- B2 Ge O8 Sm2 -","- B8 Ge4 O32 Sm8 -","4","0.5","","Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao","Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5301","5305","10.1039/b927300j","","","0.71073","MoKα","","0.0202","0.0195","","","0.0461","0.0465","","","","","","1.247","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025367","13.564","0.007","4.435","0.002","9.334","0.005","90","","90","","90","","561.5","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B2 Eu2 Ge O8 -","- B2 Eu2 Ge O8 -","- B8 Eu8 Ge4 O32 -","4","0.5","","Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao","Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5301","5305","10.1039/b927300j","","","0.71073","MoKα","","0.0194","0.0188","","","0.0407","0.041","","","","","","1.191","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025368","13.506","0.015","4.417","0.005","9.302","0.01","90","","90","","90","","554.9","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B2 Gd2 Ge O8 -","- B2 Gd2 Ge O8 -","- B8 Gd8 Ge4 O32 -","4","0.5","","Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao","Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5301","5305","10.1039/b927300j","","","0.71073","MoKα","","0.0746","0.0738","","","0.1841","0.1854","","","","","","1.115","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025369","13.484","0.006","4.4107","0.0019","9.264","0.004","90","","90","","90","","551","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B2 Ge O8 Tb2 -","- B2 Ge O8 Tb2 -","- B8 Ge4 O32 Tb8 -","4","0.5","","Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao","Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5301","5305","10.1039/b927300j","","","0.71073","MoKα","","0.027","0.0233","","","0.0559","0.0567","","","","","","0.978","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025387","16.642","0.003","8.8961","0.0018","24.002","0.005","90","","90","","90","","3553.5","1.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(bnz)4][Zn2(ox)3]","catena-[(tetrakis(benzimidazole)-zinc(II))-(tris(μ~2~-oxalato)- di-zinc(II))]","","- C34 H24 N8 O12 Zn3 -","- C34 H24 N8 O12 Zn3 -","- C136 H96 N32 O48 Zn12 -","4","0.5","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio","Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4937","4950","10.1039/b927522c","","","0.71073","MoKα","","0.0446","0.0272","","","0.0572","0.0608","","","","","","0.916","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025606","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.; Gauthier, Sébastien; Weisbach, Nancy; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Towards multistranded molecular wires: syntheses, structures, and reactivities of tetraplatinum bis(polyynediyl) complexes with [upper bond 1 start]Pt-C(x)-Pt-(P(CH2)3P)2-Pt-C(x)-Pt-(P(CH2)3P[upper bond 1 end])2 cores (x = 4, 6, 8).","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5260","5271","10.1039/c002041a","","","0.71073","MoKα","","0.0862","0.0431","","","0.103","0.1268","","","","","","1.054","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025631","17.174","0.003","7.3558","0.0015","15.804","0.003","90","","90","","90","","1996.5","0.7","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 Cl2 Ge N2 -","- C20 H24 Cl2 Ge N2 -","- C80 H96 Cl8 Ge4 N8 -","4","0.5","","Jana, Anukul; Tavcar, Gasper; Roesky, Herbert W.; Schulzke, Carola","Facile synthesis of dichlorosilane by metathesis reaction and dehydrogenation of dihydrogermane by a frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6217","6220","10.1039/c002395g","","","0.71073","MoKα","","0.0697","0.0403","","","0.0642","0.0702","","","","","","1.101","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025924","24.08","0.005","27.46","0.006","19.59","0.004","90","","90","","90","","12954","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H81 Cl2 Mn6 N6 O33 -","- C36 H73 Cl2 Mn6 N6 O33 -","- C288 H584 Cl16 Mn48 N48 O264 -","8","1","","Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S.","Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7236","7249","10.1039/c0dt00054j","","","0.77056","synchrotron","","0.0851","0.0823","","","0.2271","0.2297","","","","","","1.128","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7026090","21.429","0.009","8.344","0.003","39.58","0.02","90","","90","","90","","7077","5","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27.74 H39.48 Cl Mn3 N4 O14 -","- C27.74 H38.96 Cl Mn3 N4 O14 -","- C221.92 H311.68 Cl8 Mn24 N32 O112 -","8","1","","Kozoni, Chrysa; Manolopoulou, Efi; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","Polynuclear manganese amino acid complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7943","7950","10.1039/c0dt00192a","","","0.71073","MoKα","","0.146","0.0604","","","0.0549","0.0611","","","","","","0.957","","","","has coordinates,has disorder","179966","2020-10-21","18:00:00",""
"7026153","14.8653","0.0016","21.753","0.002","7.2959","0.0009","90","","90","","90","","2359.2","0.4","125","","125","","","","","","","","Synthesized by the authors. See text","4","P b c n","-P 2n 2ab","60","","","","- C25 H34 N2 O6 -","- C25 H34 N2 O6 -","- C100 H136 N8 O24 -","4","0.5","","Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank","Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8759","8768","10.1039/c0dt00240b","","","1.54178","CuKα","","0.0626","0.053","","","0.1484","0.1572","","","","","","1.062","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026320","18.166","0.004","26.129","0.004","6.877","0.002","90","","90","","90","","3264.2","1.3","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C76 H92 Cu N4 O4 -","- C76 H92 Cu2 N4 O4 -","- C152 H184 Cu4 N8 O8 -","2","0.25","","Arora, Himanshu; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice","Co(II), Ni(II), Cu(II) and Zn(II) complexes of a bipyridine bis-phenol conjugate: generation and properties of coordinated radical species.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10088","10098","10.1039/c0dt00342e","","","0.71073","MoKα","","0.0473","0.0473","","0.0512","","0.0512","","","1.474","","","1.474","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026322","18.044","0.002","26.673","0.009","6.846","0.001","90","","90","","90","","3294.9","1.3","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C76 H92 N4 Ni O4 -","- C76 H92 N4 Ni2 O4 -","- C152 H184 N8 Ni4 O8 -","2","0.25","","Arora, Himanshu; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice","Co(II), Ni(II), Cu(II) and Zn(II) complexes of a bipyridine bis-phenol conjugate: generation and properties of coordinated radical species.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10088","10098","10.1039/c0dt00342e","","","0.71073","MoKα","","0.0955","0.0955","","0.1498","","0.1498","","","1.954","","","1.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026370","21.3932","0.0019","13.5171","0.0012","15.5665","0.0014","90","","90","","90","","4501.4","0.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 Cl2 Fe N14 O12 -","- C38 H46 Cl2 Fe N14 O12 -","- C152 H184 Cl8 Fe4 N56 O48 -","4","0.5","","Chandrasekhar, Naisa; Chandrasekar, Rajadurai","""Super hybrid tridentate ligands"": 4-substituted-2-(1-butyl-1H-1,2,3-triazol-4-yl)-6-(1H-pyrazol-1-yl)pyridine ligands coordinated to Fe(ii) ions display above room temperature spin transitions.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9872","9878","10.1039/c0dt00373e","","","0.71073","MoKα","","0.0855","0.0754","","","0.1397","0.1439","","","","","","1.264","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026820","15.083","0.002","15.8121","0.0015","16.004","0.002","90","","90","","90","","3816.9","0.8","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","cis-tetrafluorobis(triphenylphosphine oxide-O)titanium(IV) dichloromethane solvate","","- C38 H34 Cl4 F4 O2 P2 Ti -","- C38 H34 Cl4 F4 O2 P2 Ti -","- C152 H136 Cl16 F16 O8 P8 Ti4 -","4","0.5","","Jura, Marek; Levason, William; Petts, Edmund; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Taking TiF4 complexes to extremes‒the first examples with phosphine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10264","10271","10.1039/c0dt00747a","","","0.71073","MoKα","","0.0423","0.0328","","","0.0822","0.0895","","","","","","1.007","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026822","15.091","0.003","16.284","0.005","16.152","0.002","90","","90","","90","","3969.2","1.5","291","2","291","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","tetrafluorobis(triphenylarsine oxide)titanium(IV) dichloromethane solvate","","- C38 H34 As2 Cl4 F4 O2 Ti -","- C38 H34 As2 Cl4 F4 O2 Ti -","- C152 H136 As8 Cl16 F16 O8 Ti4 -","4","0.5","","Jura, Marek; Levason, William; Petts, Edmund; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Taking TiF4 complexes to extremes‒the first examples with phosphine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10264","10271","10.1039/c0dt00747a","","","1.5418","CuKα","","0.0472","0.0382","","","0.1014","0.1043","","","","","","0.938","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026856","12.946","0.0015","10.6126","0.0013","15.6759","0.0019","90","","90","","90","","2153.7","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","8-(dimesitylboryl)quinoline","8-(dimesitylboryl)quinoline","","- C27 H28 B N -","- C27 H28 B N -","- C108 H112 B4 N4 -","4","0.5","","Son, Jung-Ho; Pudenz, Michael A.; Hoefelmeyer, James D.","Reactivity of the bifunctional ambiphilic molecule 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I) and Pd(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11081","11090","10.1039/c0dt00798f","","x-ray","0.71073","MoKα","","0.0943","0.0736","","","0.1684","0.1802","","","","","","1.274","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7026877","20.47188","0.00008","8.61724","0.00003","20.27469","0.00008","90","","90","","90","","3576.68","0.02","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H42 Cd Cl2 N8 O13 -","- C28 H40 Cd Cl2 N8 O13 -","- C112 H160 Cd4 Cl8 N32 O52 -","4","0.5","","Martinelli, Jonathan; Balali-Mood, Beeta; Panizzo, Rachael; Lythgoe, Mark F.; White, Andrew J. P.; Ferretti, Patrizia; Steinke, Joachim H. G.; Vilar, Ramon","Coordination chemistry of amide-functionalised tetraazamacrocycles: structural, relaxometric and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10056","10067","10.1039/c0dt00815j","","","1.54184","CuKα","","0.0266","0.0251","","","0.0734","0.0745","","","","","","1.069","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026878","21.0162","0.0003","9.01749","0.00012","18.5277","0.0002","90","","90","","90","","3511.25","0.08","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H42 Cl2 N8 O13 Zn -","- C28 H40 Cl1.998 N8 O12.992 Zn -","- C112 H160 Cl7.992 N32 O51.968 Zn4 -","4","0.5","","Martinelli, Jonathan; Balali-Mood, Beeta; Panizzo, Rachael; Lythgoe, Mark F.; White, Andrew J. P.; Ferretti, Patrizia; Steinke, Joachim H. G.; Vilar, Ramon","Coordination chemistry of amide-functionalised tetraazamacrocycles: structural, relaxometric and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10056","10067","10.1039/c0dt00815j","","","0.71073","MoKα","","0.0777","0.0466","","","0.1241","0.1313","","","","","","1.042","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7026920","12.904","0.008","13.186","0.008","12.688","0.008","90","","90","","90","","2159","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H6 Cl10 N2 Si5 -","- C4 H6 Cl10 N2 Si5 -","- C16 H24 Cl40 N8 Si20 -","4","0.5","","Dai, Xuliang; Anderson, Kenneth J.; Schulz, Douglas L.; Boudjouk, Philip","Coordination chemistry of Si5Cl10 with organocyanides.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11188","11192","10.1039/c0dt00925c","","","0.71073","MoKα","","0.0423","0.0314","","","0.0809","0.0867","","","","","","1.055","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027067","13.284","0.003","11.925","0.003","32.508","0.006","90","","90","","90","","5150","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H32 Cl3 N6 O13 V -","- C14 H32 Cl3 N6 O13 V -","- C112 H256 Cl24 N48 O104 V8 -","8","1","","Weyhermüller, Thomas; Weighardt, Karl; Chaudhuri, Phalguni","Nitrogen versus oxygen co-ordination of carboxamide-functionalized triazacyclononane ligands in transition metal ion complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3805","","10.1039/a806466k","","","0.71073","MoKα","","0.0596","0.0528","","0.1381","0.1319","","","","1.147","1.175","1.175","","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027197","22.519","0.005","17.937","0.006","26.565","0.007","90","","90","","90","","10730","5","294.2","","294.2","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C88 H108 Au2 Cl2 N16 O14 P8 -","- C88 H80 Au2 N16 O19 P8 -","- C352 H320 Au8 N64 O76 P32 -","4","0.5","","Berners-Price, Susan J.; Bowen, Richard J.; Hambley, Trevor W.; Healy, Peter C.","NMR and structural studies of gold(I) chloride adducts with bidentate 2-, 3- and 4-pyridyl phosphines","Journal of the Chemical Society, Dalton Transactions","1999","","8","1337","","10.1039/a809285k","","","1.5418","CuKα","","","0.07","","","","0.086","","","","","","3.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027400","20.52","0.02","15.4","0.017","14.286","0.016","90","","90","","90","","4514","8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H24 I2 Mo O7 P2 -","- C11 H24 I2 Mo O7 P2 -","- C88 H192 I16 Mo8 O56 P16 -","8","1","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.0807","0.0591","","","0.1749","0.1959","","","","","","1.073","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027762","28.204","0.006","11.364","0.002","14.954","0.003","90","","90","","90","","4792.9","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H22 Cl3 N5 Re -","- C21 H22 Cl3 N5 Re -","- C168 H176 Cl24 N40 Re8 -","8","1","","Chakraborty, Indranil; Bhattacharyya, Sibaprasad; Banerjee, Sangeeta; Kumar Dirghangi, Bimal; Chakravorty, Animesh","Synthesis, structure and properties of [ReVL(O)Cl3], [ReVL(NR)Cl3], [ReIIIL(OPPh3)Cl3], and [ReIIIL(PPh3)Cl3] [L = 2-(arylazo)-1-methylimidazole, R = aryl] †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3747","","10.1039/a906460e","","","0.71073","MoKα","","0.0852","0.0434","","0.1192","0.0948","","","","1.038","1.101","1.101","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027779","16.547","0.005","19.404","0.012","13.657","0.004","90","","90","","90","","4385","3","210","2","210","2","","","","","","","Treatment of [Cu(NCMe)4][BF4] with dmp and cnge in dichloromethane; crystallisation by ether diffusion techniques.","7","P b c n","-P 2n 2ab","60","","(2,9-dimethyl-1,10-phenanthroline)(2-cyanoguanidine)copper(I) tetrafluoroborate ether adduct (2/1)","","- C18 H21 B Cu F4 N6 O0.5 -","- C18 H21 B Cu F4 N6 O0.5 -","- C144 H168 B8 Cu8 F32 N48 O4 -","8","1","","Blake, Alexander J.; Hubberstey, Peter; Li, Wan-Sheung; Quinlan, Daniel J.; Russell, Claire E.; Sampson, Claire L.","The role of π‒π stacking interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒2,9-dimethyl-1,10-phenanthroline‒nitrile systems†","Journal of the Chemical Society, Dalton Transactions","1999","","23","4261","","10.1039/a906781g","","","0.71069","MoKα","","0.1335","0.0741","","0.1411","0.0922","","","","","","","1.2031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027846","24.185","0.004","14.435","0.002","17.044","0.002","90","0","90","0","90","0","5950.2","1.5","25","","133","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C76 H64 Mo2 N4 O6 -","- C92 H48 Mo2 N4 O10 -","- C368 H192 Mo8 N16 O40 -","4","0.5","","Solari, Euro; Maltese, Cristiano; Latronico, Mario; Floriani, Carlo; Chiesi-Villa, Angiola; Rizzoli, Corrado","Molybdenum‒carbon functionalities supported by a quadridentate Schiff-base ligand: the reactivity of trans-dichloro[N,N′-bis(salicylidene)-o-phenylenediaminato]molybdenum(IV) ‡","Journal of the Chemical Society, Dalton Transactions","1998","","14","2395","","10.1039/a802148a","","","1.54178","CuKa","","0.1109","0.042","","0.1209","0.1047","","","","1.058","1.14","1.14","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027933","10.2494","0.0006","19.4114","0.0012","21.9623","0.0014","90","","90","","90","","4369.5","0.5","90","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C53 H57 Mn N3 -","- C53 H57 Mn N3 -","- C212 H228 Mn4 N12 -","4","0.5","","Ni, Chengbao; Rekken, Brian; Fettinger, James C.; Long, Gary J.; Power, Philip P.","Two-coordinate, homoleptic manganese(ii) primary terphenyl amido complexes: the effects of secondary coordination on geometry and Lewis base complexation","Dalton Transactions","2009","","39","8349","8355","10.1039/b911978g","","","0.71073","MoKα","","0.062","0.038","","","0.0962","0.1124","","","","","","1.035","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7028041","8.3364","0.0002","19.2115","0.0006","14.343","0.0004","90","","90","","90","","2297.1","0.11","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaquodichlorodioxomolybdenum(VI) dihydrate 18-crown-6","","- C12 H32 Cl2 Mo O12 -","- C12 H32 Cl2 Mo O12 -","- C48 H128 Cl8 Mo4 O48 -","4","0.5","","Taylor, Michael J.; Rickard, Clifton E. F.; Kloo, Lars A.","Vibrational and crystallographic studies of dioxohalogenomolybdenum(VI) complexes with crown ethers","Journal of the Chemical Society, Dalton Transactions","1998","","19","3195","","10.1039/a803295e","","","0.71073","MoKα","","0.0509","0.0374","","","0.0843","0.0933","","","","","","1.073","","","","has coordinates,has disorder","179986","2020-10-21","18:00:00",""
"7028257","18.3338","0.0003","9.7882","0.0002","13.355","0.0002","90","","90","","90","","2396.62","0.07","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","methoxy(ferrocen-1-yl)methylidene) gold(I) chloride","methoxy(ferrocen-1-yl)methylidene) gold(I) chloride","","- C12 H12 Au Cl Fe O -","- C12 H12 Au Cl Fe O -","- C96 H96 Au8 Cl8 Fe8 O8 -","8","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.052","0.0265","","","0.0384","0.0425","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028799","15.7284","0.0008","22.4354","0.0012","14.1958","0.0007","90","","90","","90","","5009.3","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H60 Cl2 Eu3 N7 O3 Si2 -","- C44 H60 Cl2 Eu3 N7 O3 Si2 -","- C176 H240 Cl8 Eu12 N28 O12 Si8 -","4","0.5","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0392","0.0316","","","0.0806","0.0869","","","","","","1.099","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028911","33.7821","0.0005","10.7707","0.0001","24.2239","0.0003","90","","90","","90","","8814.03","0.19","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[K(18-crown-6)THF][Fe(mes)3]","","- C43 H65 Fe K O7 -","- C43 H65 Fe K O7 -","- C344 H520 Fe8 K8 O56 -","8","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0808","0.0557","","","0.1209","0.131","","","","","","1.046","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7029038","17.5001","0.0002","18.4522","0.0002","24.6381","0.0002","90","","90","","90","","7956.02","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.0441","0.0345","","","0.0763","0.0802","","","","","","1.046","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029039","8.4685","0.0003","12.1683","0.0004","17.2063","0.0005","90","","90","","90","","1773.06","0.1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H20 N2 S2 -","- C20 H20 N2 S2 -","- C80 H80 N8 S8 -","4","0.5","","Acosta-Ramirez, Alberto; Cross, Edward D.; McDonald, Robert; Bierenstiel, Matthias","Binuclear ruthenium η(6)-arene complexes with tetradentate N,S-ligands containing the ortho-aminothiophenol motif.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3104","3113","10.1039/c3dt53075b","","","0.71073","MoKα","","0.0321","0.0284","","","0.0758","0.0788","","","","","","1.068","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029270","33.88","0.03","14.178","0.013","20.595","0.018","90","","90","","90","","9893","15","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C104 H146 N2 O4 P4 Pt2 -","- C104 H146 N2 O4 P4 Pt2 -","- C416 H584 N8 O16 P16 Pt8 -","4","0.5","","Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R.","Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","85","94","10.1039/c3dt50874a","","","0.71073","MoKα","","0.172","0.149","","","0.364","0.385","","","","","","1.16","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029527","20.279","0.002","18.474","0.002","26.694","0.003","90","","90","","90","","10000.5","1.8","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C40 H80 Cl Ir K N O10 P2 -","- C40 H80 Cl Ir K N O10 P2 -","- C320 H640 Cl8 Ir8 K8 N8 O80 P16 -","8","1","","Kinauer, Markus; Scheibel, Markus G.; Abbenseth, Josh; Heinemann, Frank W.; Stollberg, Peter; Würtele, Christian; Schneider, Sven","[IrCl{N(CHCHPtBu2)2}](-): a versatile source of the Ir(I)(PNP) pincer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4506","4513","10.1039/c3dt53304b","","","0.56086","AgKα","","0.0492","0.0261","","","0.042","0.0483","","","","","","1","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029568","14.5138","0.0007","23.2609","0.0011","12.8419","0.0006","90","","90","","90","","4335.5","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2,6-bis(5-aminopyrazol-3-yl)pyridine]iron(II) diperchlorate bis(diethyl ether) nitromethane solvate","","- C31 H45 Cl2 Fe N15 O12 -","- C31 H45 Cl2 Fe N15 O12 -","- C124 H180 Cl8 Fe4 N60 O48 -","4","0.5","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.0498","0.0335","","","0.0826","0.0918","","","","","","1.03","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029600","18.3874","0.0017","13.0164","0.0011","14.3508","0.0013","90","","90","","90","","3434.7","0.5","180","2","180","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cl6 P2 Pt -","- C30 H38 Cl6 P2 Pt -","- C120 H152 Cl24 P8 Pt4 -","4","0.5","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Platinum(ii)-phosphole complexes: synthesis and evaluation as enyne cycloisomerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6728","6734","10.1039/c3dt53588f","","x-ray","0.71073","MoKα","","0.026","0.021","","","0.0496","0.0521","","","","","","1.098","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029663","35.1087","0.0004","10.08753","0.00009","19.9277","0.0002","90","","90","","90","","7057.6","0.12","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C34 H37 B F4.67 Fe N8 O S -","- C34 H37 B F4.667 Fe N7.999 O S -","- C272 H296 B8 F37.336 Fe8 N63.992 O8 S8 -","8","1","","Widger, Leland R.; Jiang, Yunbo; McQuilken, Alison C.; Yang, Tzuhsiung; Siegler, Maxime A.; Matsumura, Hirotoshi; Moënne-Loccoz, Pierre; Kumar, Devesh; de Visser, Sam P.; Goldberg, David P.","Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7522","7532","10.1039/c4dt00281d","","","1.54178","CuKα","","0.0366","0.0322","","","0.0791","0.0821","","","","","","1.026","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029721","26.34","0.006","16.51","0.004","10.564","0.003","90","","90","","90","","4594","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H50 Cl6 Fe N3 O14 -","- C36 H48 Cl6 Fe N3 O14 -","- C144 H192 Cl24 Fe4 N12 O56 -","4","0.5","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.0784","0.0572","","","0.1562","0.1735","","","","","","1.02","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029855","13.752","0.005","8.962","0.003","17.688","0.006","90","","90","","90","","2180","1.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H28 Al B2 Cl N8 -","- C20 H28 Al B2 Cl N8 -","- C80 H112 Al4 B8 Cl4 N32 -","4","0.5","","Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.","Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7687","7690","10.1039/c4dt00990h","","","0.71073","MoKα","","0.1122","0.0956","","","0.25","0.2552","","","","","","1.857","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030033","16.1631","0.001","11.1671","0.0007","13.9253","0.0009","90","","90","","90","","2513.4","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P b c n","-P 2n 2ab","60","","","","- C35 H30 N2 -","- C35 H30 N2 -","- C140 H120 N8 -","4","0.5","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0617","0.0511","","","0.111","0.1193","","","","","","1.04","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030277","15.175","0.005","16.254","0.006","16.34","0.006","90","","90","","90","","4030","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","cis-tetrafluoro-bis(triphenylarsine oxide)zirconium(IV)","","- C38 H34 As2 Cl4 F4 O2 Zr -","- C38 H34 As2 Cl4 F4 O2 Zr -","- C152 H136 As8 Cl16 F16 O8 Zr4 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0887","0.0787","","","0.1168","0.1203","","","","","","1.304","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030481","11.9883","0.0007","16.0417","0.0006","13.0715","0.0007","90","","90","","90","","2513.8","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N10 O2 -","- C12 H8 Cu N10 O2 -","- C48 H32 Cu4 N40 O8 -","4","0.5","","Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Kirillov, Alexander M.; Mukhopadhyay, Suman","Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9944","9954","10.1039/c4dt00531g","","","0.71073","MoKα","","0.0741","0.0587","","","0.1743","0.1858","","","","","","1.091","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030782","12.116","0.002","10.393","0.002","18.673","0.004","90","","90","","90","","2351.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N6 O4 Zn -","- C24 H18 N6 O4 Zn -","- C96 H72 N24 O16 Zn4 -","4","0.5","","Hu, Tong-Liang; Zou, Ruo-Qiang; Li, Jian-Rong; Bu, Xian-He","d(10) Metal complexes assembled from isomeric benzenedicarboxylates and 3-(2-pyridyl)pyrazole showing 1D chain structures: syntheses, structures and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2008","","10","1302","1311","10.1039/b716398c","","","0.71073","MoKα","","0.0398","0.0347","","","0.0925","0.0963","","","","","","1.061","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030787","15.733","0.002","14.914","0.002","32.08","0.005","90","","90","","90","","7527.3","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22.5 H36 Cl9 N Nb2 O P4 -","- C22.5 H36 Cl9 N Nb2 O P4 -","- C180 H288 Cl72 N8 Nb16 O8 P32 -","8","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.1042","0.0745","","","0.1024","0.1111","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031530","16.051","0.005","19.314","0.006","14.958","0.004","90","","90","","90","","4637","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Fe(BPyA)SO4","","- C36 H63 Fe2 N6 O17.5 S2 -","- C36.02 H50 Fe2 N6 O17.52 S2 -","- C144.08 H200 Fe8 N24 O70.08 S8 -","4","0.5","","Parent, Alexander R.; Nakazono, Takashi; Lin, Shu; Utsunomiya, Satoshi; Sakai, Ken","Mechanism of water oxidation by non-heme iron catalysts when driven with sodium periodate.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12501","12513","10.1039/c4dt01188k","","","0.71073","MoKα","","0.0877","0.0723","","","0.1902","0.2034","","","","","","1.167","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031542","12.6998","0.0012","8.8157","0.0009","33.412","0.003","90","","90","","90","","3740.7","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C112 H144 Co8 N32 O64 -","8","1","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","1.5418","CuKα","","0.1917","0.0682","","","0.0945","0.1299","","","","","","0.951","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031552","20.318","0.004","11.781","0.003","9.576","0.002","90","","90","","90","","2292.2","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H13 Mn N2 O9.5 -","- C5 H13 Mn N2 O9.5 -","- C40 H104 Mn8 N16 O76 -","8","1","","Campagna, Sebastiano; Puntoriero, Fausto; Nastasi, Francesco; Serroni, Scolastica; Olivier, Jean-Hubert; Ziessel, Raymond","Photophysical properties of an unusual bichromophoric species constructed from a cyclometalated Pt(II) chromophore and a blue Bodipy-acetylacetonate species","Dalton Transactions","2014","","","","","10.1039/c4dt01127a","","","0.71073","MoKα","","0.062","0.0271","","","0.0375","0.0404","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031563","30.902","0.0009","8.2967","0.0002","15.5348","0.0004","90","","90","","90","","3982.88","0.18","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H18 B F2 N3 -","- C25 H18 B F2 N3 -","- C200 H144 B8 F16 N24 -","8","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0915","0.0541","","","0.1267","0.1468","","","","","","1.027","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031606","13.468","0.006","9.758","0.004","18.44","0.008","90","","90","","90","","2423.4","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Mn N6 S2 -","- C24 H18 Cl2 Mn N6 S2 -","- C96 H72 Cl8 Mn4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0593","0.0458","","","0.0951","0.1005","","","","","","1.156","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031607","13.3122","0.0016","9.8775","0.0012","18.354","0.002","90","","90","","90","","2413.4","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Fe N6 S2 -","- C24 H18 Cl2 Fe N6 S2 -","- C96 H72 Cl8 Fe4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0473","0.0413","","","0.1079","0.1134","","","","","","1.044","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031608","13.294","0.003","9.846","0.002","18.407","0.004","90","","90","","90","","2409.3","0.9","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Co N6 S2 -","- C24 H18 Cl2 Co N6 S2 -","- C96 H72 Cl8 Co4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.1029","0.0562","","","0.1275","0.1536","","","","","","1.068","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031610","13.282","0.007","9.799","0.005","18.426","0.01","90","","90","","90","","2398","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 N6 S2 Zn -","- C24 H18 Cl2 N6 S2 Zn -","- C96 H72 Cl8 N24 S8 Zn4 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0472","0.0362","","","0.0779","0.0823","","","","","","1.086","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031675","17.9942","0.0007","6.3605","0.0002","13.1333","0.0005","90","","90","","90","","1503.13","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H4 N4 O4 Pb S -","- C2 H4 N4 O4 Pb S -","- C16 H32 N32 O32 Pb8 S8 -","8","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","1.54178","CuKα","","0.0198","0.0195","","","0.055","0.0553","","","","","","1.195","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031913","20.318","0.004","11.781","0.003","9.576","0.002","90","","90","","90","","2292.2","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H13 Mn N2 O9.5 -","- C5 H13 Mn N2 O9.5 -","- C40 H104 Mn8 N16 O76 -","8","1","","Najafpour, Mohammad Mahdi; Hołyńska, Małgorzata; Shamkhali, Amir Nasser; Kazemi, Sayed Habib; Hillier, Warwick; Amini, Emad; Ghaemmaghami, M.; Jafarian Sedigh, Davood; Nemati Moghaddam, Atefeh; Mohamadi, Rahim; Zaynalpoor, Sasan; Beckmann, Katrin","The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13122","","10.1039/c4dt01367k","","","0.71073","MoKα","","0.062","0.0271","","","0.0375","0.0404","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032076","17.304","0.0009","11.3617","0.0006","19.0159","0.001","90","","90","","90","","3738.6","0.3","120","1","120","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H28 B2 F8 Fe N8 -","- C40 H28 B2 F8 Fe N8 -","- C160 H112 B8 F32 Fe4 N32 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.1354","0.087","","","0.1937","0.241","","","","","","1.097","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7033029","14.9315","0.0007","19.8367","0.0009","12.5335","0.0006","90","","90","","90","","3712.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H32 N10 Ni2 O4 Zn -","- C38 H32 N10 Ni2 O4 Zn -","- C152 H128 N40 Ni8 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Gómez-García, Carlos J; Ghosh, Ashutosh","Influence of the central metal ion in controlling the self-assembly and magnetic properties of 2D coordination polymers derived from [(NiL)2M](2+) nodes (M = Ni, Zn and Cd) (H2L = salen-type di-Schiff base) and dicyanamide spacers.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1292","1302","10.1039/c4dt02823f","","","0.71073","MoKα","","0.0375","0.0268","","","0.0641","0.0696","","","","","","1.066","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033355","19.728","0.0003","9.41866","0.00012","14.5758","0.0002","90","","90","","90","","2708.35","0.07","160","1","160","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N6 O8 Zn -","- C26 H28 N6 O8 Zn -","- C104 H112 N24 O32 Zn4 -","4","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0393","0.0292","","","0.0724","0.0784","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033512","38.8301","0.0016","16.6153","0.0005","18.1236","0.0005","90","","90","","90","","11692.9","0.7","150.01","0.1","150.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C69 H66 B Ni O P3 S2 -","- C69 H66 B Ni O P3 S2 -","- C552 H528 B8 Ni8 O8 P24 S16 -","8","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.71073","MoKα","","0.0709","0.0486","","","0.09","0.1","","","","","","1.07","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033759","15.797","0.003","12.955","0.003","16.382","0.003","90","","90","","90","","3352.6","1.2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H22 Br2 F8 P2 Pd -","- C36 H22 Br2 F8 P2 Pd -","- C144 H88 Br8 F32 P8 Pd4 -","4","0.5","","Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.","Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3367","3377","10.1039/c4dt03268c","","","0.71073","MoKα","","0.0583","0.0314","","","0.0683","0.0738","","","","","","1.037","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033839","15.4886","0.0007","19.2519","0.0009","12.1325","0.0005","90","","90","","90","","3617.7","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 Li2 N8 Si2 -","- C32 H46 Li2 N8 Si2 -","- C128 H184 Li8 N32 Si8 -","4","0.5","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.0524","0.0382","","","0.1021","0.1138","","","","","","1.03","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7034079","29.1528","0.001","9.1827","0.0003","18.4451","0.0006","90","","90","","90","","4937.8","0.3","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H47 Li N4 Zn -","- C19 H47 Li N4 Zn -","- C152 H376 Li8 N32 Zn8 -","8","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","0.71073","MoKα","","0.0867","0.0457","","","0.0881","0.1026","","","","","","1.021","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034086","31.316","0.004","18.931","0.002","17.846","0.002","90","","90","","90","","10580","2","93","","93","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H146 Au6 N16 P8 S8 -","- C64 H146 Au6 N16 P8 S8 -","- C256 H584 Au24 N64 P32 S32 -","4","0.5","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","","0.0339","","","","0.1105","","","","","","1.045","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034485","15.772","0.002","9.171","0.0014","9.605","0.0014","90","","90","","90","","1389.3","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","[Fe(H2bpta)]n","","- C16 H8 Fe O8 -","- C16 H8 Fe O8 -","- C64 H32 Fe4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.71075","MoKα","","0.0509","0.0384","","","0.0929","0.0983","","","","","","1.097","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034486","15.68","0.003","9.149","0.0018","9.415","0.0019","90","","90","","90","","1350.6","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 2","","","- C16 H8 Ni O8 -","- C16 H8 Ni O8 -","- C64 H32 Ni4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0343","0.0297","","","0.0763","0.0778","","","","","","1.278","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034487","16.16","0.003","9.455","0.0019","8.984","0.0018","90","","90","","90","","1372.7","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 3","","","- C16 H8 Cu O8 -","- C16 H8 Cu O8 -","- C64 H32 Cu4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0424","0.0362","","","0.1014","0.1054","","","","","","1.104","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034488","15.147","0.003","8.834","0.0018","9.062","0.0018","90","","90","","90","","1212.6","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 4","","","- C16 H8 O8 Zn -","- C16 H8 O8 Zn -","- C64 H32 O32 Zn4 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0704","0.0678","","","0.1689","0.1709","","","","","","1.116","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034711","12.8121","0.0004","10.0581","0.0004","29.6866","0.0009","90","","90","","90","","3825.6","0.2","230.01","0.1","230.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0604","0.0507","","","0.1372","0.1449","","","","","","1.068","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034712","12.8112","0.0005","10.0738","0.0004","29.6623","0.0011","90","","90","","90","","3828.1","0.3","250","0.1","250","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0708","0.0549","","","0.1377","0.1497","","","","","","1.037","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034713","12.8042","0.0006","10.6288","0.0006","28.3592","0.0014","90","","90","","90","","3859.5","0.3","270","0.1","270","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0808","0.0636","","","0.1754","0.191","","","","","","1.099","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034714","12.8371","0.0006","10.6474","0.0005","28.4181","0.0013","90","","90","","90","","3884.2","0.3","298","0.1","298","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0877","0.0585","","","0.1635","0.1897","","","","","","1.058","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034715","12.9544","0.0008","10.7221","0.0008","28.685","0.002","90","","90","","90","","3984.3","0.5","420","0.11","420","0.11","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.1099","0.0627","","","0.1768","0.2127","","","","","","1.021","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7035117","25.215","0.0014","16.4859","0.001","28.981","0.0017","90","","90","","90","","12047.2","1.2","193","2","193","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H75 Ag F3 N6 O6 Rh3 S7 -","- C42 H51 Ag N6 Rh3 S6 -","- C336 H408 Ag8 N48 Rh24 S48 -","8","1","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.0927","0.0558","","","0.1459","0.1609","","","","","","0.944","","","","has coordinates","138609","2020-10-21","18:00:00",""
"7035642","26.279","0.003","15.6114","0.0017","15.8183","0.0017","90","","90","","90","","6489.5","1.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H48 Al Cl N2 O -","- C32 H48 Al Cl N2 O -","- C256 H384 Al8 Cl8 N16 O8 -","8","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.0837","0.0478","","","0.1147","0.1359","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035826","18.7638","0.0005","22.9601","0.0005","14.2032","0.0004","90","","90","","90","","6119","0.3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H64 Br4 Fe2 P4 -","- C66 H64 Br4 Fe2 P4 -","- C264 H256 Br16 Fe8 P16 -","4","0.5","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.1345","0.1321","","","0.3029","0.3037","","","","","","1.332","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035827","19.3912","0.001","23.1564","0.0012","14.2453","0.0007","90","","90","","90","","6396.6","0.6","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H64 Fe2 I4 P4 -","- C66 H64 Fe2 I4 P4 -","- C264 H256 Fe8 I16 P16 -","4","0.5","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0675","0.056","","","0.1391","0.148","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035981","18.4708","0.0005","20.6154","0.0005","16.8454","0.0004","90","","90","","90","","6414.4","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H32 Cl N P2 Pt -","- C37 H32 Cl N P2 Pt -","- C296 H256 Cl8 N8 P16 Pt8 -","8","1","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","0.7107","MoKα","","0.0611","0.0416","","","0.11","0.1248","","","","","","1.033","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7035982","19.4057","0.0004","20.2771","0.0003","16.6972","0.0002","90","","90","","90","","6570.2","0.18","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H34 Cl N P2 Pt -","- C38 H34 Cl N P2 Pt -","- C304 H272 Cl8 N8 P16 Pt8 -","8","1","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","1.5418","CuKα","","0.0359","0.0322","","","0.089","0.0913","","","","","","1.06","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7036180","10.9858","0.0003","15.3568","0.0003","22.4969","0.0004","90","","90","","90","","3795.38","0.14","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H17 Cl N2 Pd -","- C22.5 H17 Cl N2 Pd -","- C180 H136 Cl8 N16 Pd8 -","8","1","","Nguyen, Bao N.; Adrio, Luis A.; Albrecht, Tim; White, Andrew J. P.; Newton, Mark A.; Nachtegaal, Maarten; Figueroa, Santiago J. A.; Hii, King Kuok Mimi","Electronic structures of cyclometalated palladium complexes in the higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16586","16591","10.1039/c5dt02104a","","","0.71073","MoKα","","0.0749","0.0566","","","0.1248","0.1282","","","","","","1.286","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036337","5.09838","0.00018","18.97424","0.00063","8.04487","0.00026","90","","90","","90","","778.24","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","","V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin","Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates","Dalton Transactions","2015","44","4","1805","1815","10.1039/C4DT03203A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.72","2.542","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036370","18.784","0.005","16.65","0.005","15.453","0.004","90","","90","","90","","4833","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H26 I2 N4 O Pd -","- C21 H26 I2 N4 O Pd -","- C168 H208 I16 N32 O8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.0277","0.0271","","","0.0502","0.0504","","","","","","1.247","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036514","13.439","0.003","10.422","0.003","20.069","0.005","90","","90","","90","","2810.9","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N6 O8 -","- C24 H28 Mn N6 O8 -","- C96 H112 Mn4 N24 O32 -","4","0.5","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.09","0.0468","","","0.1022","0.1223","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036597","24.03","0.005","14.256","0.003","20.68","0.004","90","","90","","90","","7084","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H40 Cd1.5 N6 O15.5 -","- C30 H40 Cd1.5 N6 O15.5 -","- C240 H320 Cd12 N48 O124 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Yang, Yu Lin; Wang, Yu Lei","Advanced Cd(II) complexes as high efficiency co-sensitizers for enhanced dye-sensitized solar cell performance.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18187","18195","10.1039/c5dt02951a","","","0.71073","MoKα","","0.0689","0.0413","","","0.0847","0.0943","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036609","11.697","0.005","15.864","0.005","10.566","0.005","90","","90","","90","","1960.6","1.4","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeL20b]","","","- C22 H20 Fe N2 O4 -","- C22 H20 Fe N2 O4 -","- C88 H80 Fe4 N8 O16 -","4","0.5","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1601","0.0851","","","0.1989","0.2361","","","","","","0.983","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036649","32.9377","0.0006","23.6356","0.0004","19.1985","0.0004","90","","90","","90","","14946.1","0.5","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H94 Cl8 Ga2 N6 O2 P4 -","- C62 H94 Cl8.0032 Ga2.0008 N6 O2 P4 -","- C496 H752 Cl64.0256 Ga16.0064 N48 O16 P32 -","8","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0755","0.0427","","","0.0893","0.1023","","","","","","1.017","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036769","10.7402","0.0015","28.559","0.004","42.642","0.006","90","","90","","90","","13080","3","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C49.5 H51 O37 Zn6 -","- C49.5 H28 O36.98 Zn6 -","- C396 H224 O295.84 Zn48 -","8","1","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.7749","synchrotron","","0.0881","0.0769","","","0.1975","0.2056","","","","","","1.12","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037008","13.5618","0.0004","19.8375","0.0007","9.1922","0.0003","90","","90","","90","","2473","0.14","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H8 Cl3 Ga N2 -","- C10 H8 Cl3 Ga N2 -","- C80 H64 Cl24 Ga8 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0296","0.0288","","","0.0764","0.0772","","","","","","1.117","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037063","19.9204","0.0003","14.382","0.0002","18.9519","0.0002","90","","90","","90","","5429.63","0.13","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H21 B F10 N -","- C32 H21 B F10 N -","- C256 H168 B8 F80 N8 -","8","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0651","0.0463","","","0.0982","0.1089","","","","","","1.086","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037177","19.3596","0.0003","10.174","0.0002","18.4718","0.0003","90","","90","","90","","3638.29","0.11","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 F8 N6 O4 Zn -","- C32 H38 B2 F8 N6 O4 Zn -","- C128 H152 B8 F32 N24 O16 Zn4 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0403","0.0345","","","0.0948","0.1","","","","","","1.072","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037178","19.3097","0.0011","10.1965","0.0005","18.4325","0.0011","90","","90","","90","","3629.2","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 Co F8 N6 O4 -","- C32 H38 B2 Co F8 N6 O4 -","- C128 H152 B8 Co4 F32 N24 O16 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0642","0.0455","","","0.1121","0.1275","","","","","","1.022","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037179","19.4164","0.0002","10.3421","0.0001","17.9742","0.0002","90","","90","","90","","3609.33","0.06","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 F8 N6 Ni O4 -","- C32 H38 B2 F8 N6 Ni O4 -","- C128 H152 B8 F32 N24 Ni4 O16 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.041","0.0385","","","0.109","0.1114","","","","","","1.076","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037232","8.6942","0.0009","22.063","0.002","14.9541","0.0015","90","","90","","90","","2868.5","0.5","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","dh2_73","[(DO)2en(ImMe)2CoNa][PF6]2","","- C18 H28 Co F12 N8 Na O2 P2 -","- C18 H28 Co F12 N8 Na O2 P2 -","- C72 H112 Co4 F48 N32 Na4 O8 P8 -","4","0.5","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0859","0.0692","","","0.1719","0.1849","","","","","","1.129","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037686","5.1023","0.001","19.717","0.004","12.557","0.003","90","","90","","90","","1263.3","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs Li5 Mn O14 P4 -","- Cs Li5 Mn O14 P4 -","- Cs4 Li20 Mn4 O56 P16 -","4","0.5","","Gao, Jianhua; Sha, Xunshan; Song, Limei; Zhao, Pan; Liu, Xi","The synthesis, structure and properties of a new lithium-rich manganese(ii) phosphate Li5CsMn(P2O7)2: a congruently melting compound with a 'lithium hamburger' structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2584","2590","10.1039/c5dt04427h","","","0.71073","MoKα","","0.0412","0.0402","","","0.1059","0.1065","","","","","","1.118","","","","has coordinates","177805","2020-10-21","18:00:00",""
"7038207","20.7859","0.0013","8.8243","0.0006","42.787","0.003","90","","90","","90","","7848","0.9","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H41 I6 N4 Pb2 -","- C24 H41 I6 N4 Pb2 -","- C192 H328 I48 N32 Pb16 -","8","1","","Duan, Hai-Bao; Yu, Shan-Shan; Tong, Yuan-Bo; Zhou, Hong; Ren, Xiao-Ming","Two in one: switchable ion conductivity and white light emission integrated in an iodoplumbate-based twin chain hybrid crystal.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4810","4818","10.1039/c5dt04594k","","","0.71073","MoKα","","0.0908","0.0481","","","0.0947","0.1075","","","","","","1.058","","","","has coordinates","181683","2020-10-21","18:00:00",""
"7038208","21.089","0.003","8.9287","0.0011","42.348","0.005","90","","90","","90","","7974","1.8","393","2","393.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H42 I6 N4 Pb2 -","- C24 H42 I6 N4 Pb2 -","- C192 H336 I48 N32 Pb16 -","8","1","","Duan, Hai-Bao; Yu, Shan-Shan; Tong, Yuan-Bo; Zhou, Hong; Ren, Xiao-Ming","Two in one: switchable ion conductivity and white light emission integrated in an iodoplumbate-based twin chain hybrid crystal.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4810","4818","10.1039/c5dt04594k","","","0.71073","MoKα","","0.1912","0.0718","","","0.1446","0.1813","","","","","","1.006","","","","has coordinates","181683","2020-10-21","18:00:00",""
"7038216","12.022","0.002","21.648","0.004","12.825","0.003","90","","90","","90","","3337.7","1.1","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H32 B2 F8 Fe N8 S4 -","- C20 H32 B2 F8 Fe N8 S4 -","- C80 H128 B8 F32 Fe4 N32 S16 -","4","0.5","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.055","0.0481","","","0.1305","0.1417","","","","","","1.099","","","","has coordinates","181693","2020-10-21","18:00:00",""
"7038217","12.051","0.002","21.709","0.004","13.199","0.003","90","","90","","90","","3453.1","1.2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H32 B2 F8 Fe N8 Se4 -","- C20 H32 B2 F8 Fe N8 Se4 -","- C80 H128 B8 F32 Fe4 N32 Se16 -","4","0.5","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.0578","0.0476","","","0.1211","0.1333","","","","","","1.093","","","","has coordinates,has disorder","181693","2020-10-21","18:00:00",""
"7038280","14.339","0.003","26.055","0.005","31.083","0.006","90","","90","","90","","11613","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 Eu4 F6 N12 O16 -","- C116 H89.998 Eu4 F6 N12 O16 -","- C464 H359.992 Eu16 F24 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0884","0.0582","","","0.1422","0.164","","","","","","1.13","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038281","14.35","0.003","26.024","0.005","31","0.006","90","","90","","90","","11577","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 Gd4 N12 O16 -","- C116 H90 F6 Gd4 N12 O16 -","- C464 H360 F24 Gd16 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0943","0.0624","","","0.1568","0.1849","","","","","","1.108","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038282","14.318","0.003","26.201","0.005","30.477","0.006","90","","90","","90","","11433","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 Lu4 N12 O16 -","- C116 H90 F6 Lu4 N12 O16 -","- C464 H360 F24 Lu16 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.053","0.044","","","0.1223","0.1343","","","","","","1.198","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038283","14.271","0.003","26.159","0.005","30.634","0.006","90","","90","","90","","11436","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Tm4 -","- C116 H89.999 F6 N12 O16 Tm4 -","- C464 H359.996 F24 N48 O64 Tm16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0584","0.0489","","","0.1183","0.1235","","","","","","1.154","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038284","14.33","0.003","26.134","0.005","30.745","0.006","90","","90","","90","","11514","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Y4 -","- C116 H89.999 F6 N12 O16 Y4 -","- C464 H359.996 F24 N48 O64 Y16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0822","0.0541","","","0.1281","0.1472","","","","","","1.11","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038285","14.296","0.003","26.078","0.005","30.889","0.006","90","","90","","90","","11516","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 Dy4 F6 N12 O16 -","- C116 H90 Dy4 F6 N12 O16 -","- C464 H360 Dy16 F24 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0663","0.049","","","0.0997","0.109","","","","","","1.094","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038286","14.289","0.0007","26.0134","0.0012","30.9029","0.0014","90","","90","","90","","11486.8","0.9","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Tb4 -","- C116 H89.999 F6 N12 O16 Tb4 -","- C464 H359.996 F24 N48 O64 Tb16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0362","0.0268","","","0.057","0.0605","","","","","","1.101","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038410","14.64","0.012","16.039","0.016","8.43","0.008","90","","90","","90","","1979","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H20 I5 N2 Sb -","- C6 H20 I5 N2 Sb -","- C24 H80 I20 N8 Sb4 -","4","0.5","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi","Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5229","5233","10.1039/c5dt04939c","","","0.71073","MoKα","","0.0433","0.0409","","","0.0809","0.0821","","","","","","1.088","","","","has coordinates","181655","2020-10-21","18:00:00",""
"7038608","23.771","0.005","13.231","0.003","14.707","0.003","90","","90","","90","","4625.6","1.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H59 B20 Ir N2 O2 -","- C39 H59 B20 Ir N2 O2 -","- C156 H236 B80 Ir4 N8 O8 -","4","0.5","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.70002","synchrotron","","0.0454","0.0416","","","0.1231","0.1295","","","","","","1.04","","","","has coordinates","181634","2020-10-21","18:00:00",""
"7038766","10.8112","0.0012","13.5233","0.0015","30.106","0.003","90","","90","","90","","4401.6","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H18 F6 N3 Ni P S -","- C22 H18 F6 N3 Ni P S -","- C176 H144 F48 N24 Ni8 P8 S8 -","8","1","","Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin","Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7312","7319","10.1039/c6dt00252h","","","0.71073","MoKα","","0.0538","0.0459","","","0.1063","0.1104","","","","","","1.085","","","","has coordinates","182741","2020-10-21","18:00:00",""
"7038986","16.0457","0.0014","9.2602","0.0008","17.5605","0.0014","90","","90","","90","","2609.3","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni(dmpbz)2(BF4)2","","- C20 H32 B2 F8 Ni P4 -","- C20 H32 B2 F8 Ni P4 -","- C80 H128 B8 F32 Ni4 P16 -","4","0.5","","Connelly Robinson, Samantha J.; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.","Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10017","10023","10.1039/c6dt00309e","","","0.71073","MoKα","","0.1166","0.0548","","","0.1244","0.1561","","","","","","1.018","","","","has coordinates,has disorder","185377","2020-10-21","18:00:00",""
"7039009","27.8885","0.0007","11.4437","0.0003","17.7204","0.0005","90","","90","","90","","5655.4","0.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H27 Eu N2 O12 -","- C26 H27 Eu N2 O12 -","- C208 H216 Eu8 N16 O96 -","8","1","","Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying","Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8745","8752","10.1039/c6dt00641h","","","0.71073","MoKα","","0.0792","0.0429","","","0.0808","0.0951","","","","","","1.005","","","","has coordinates,has disorder","185449","2020-10-21","18:00:00",""
"7039087","19.642","0.0004","12.6315","0.0002","18.2652","0.0003","90","","90","","90","","4531.74","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H33 N3 P2 -","- C21 H33 N3 P2 -","- C168 H264 N24 P16 -","8","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0492","0.0394","","","0.0976","0.1032","","","","","","1.152","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039095","13.3969","0.0009","10.5584","0.0008","11.6957","0.0009","90","","90","","90","","1654.4","0.2","150","2","150","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C6 Cl5 -","- C6 Cl5 -","- C48 Cl40 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0322","0.0244","","","0.0561","0.06","","","","","","0.99","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039153","11.023","0.0009","15.3941","0.0013","21.2051","0.0018","90","","90","","90","","3598.3","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H54 P2 Th -","- C38 H54 P2 Th -","- C152 H216 P8 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0359","0.0211","","","0.0431","0.0466","","","","","","1.082","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039953","13.6133","0.0009","13.0066","0.0008","14.3436","0.0009","90","","90","","90","","2539.7","0.3","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O6 P2 -","- C10 H10 N2 O6 P2 -","- C80 H80 N16 O48 P16 -","8","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0351","0.0316","","","0.0853","0.0879","","","","","","1.059","","","","has coordinates","186441","2020-10-21","18:00:00",""
"7039967","22.2679","0.0006","15.9254","0.0005","15.3571","0.0004","90","","90","","90","","5446","0.3","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H37 I2 N3 O2 P2 W -","- C21 H37 I2 N3 O2 P2 W -","- C168 H296 I16 N24 O16 P16 W8 -","8","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0402","0.0261","","","0.0284","0.0307","","","","1.44","1.44","1.37","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7040002","11.9043","0.0003","26.6028","0.0007","10.882","0.0003","90","","90","","90","","3446.2","0.16","120.01","0.15","120.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H23 B10 Br N2 -","- C9 H23 B10 Br N2 -","- C72 H184 B80 Br8 N16 -","8","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.0587","0.0371","","","0.0845","0.0943","","","","","","1.024","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040244","12.0878","0.0002","10.4438","0.0002","15.6612","0.0003","90","","90","","90","","1977.11","0.06","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 N4 O2 Sn2 -","- C22 H16 N4 O2 Sn2 -","- C88 H64 N16 O8 Sn8 -","4","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0364","0.0222","","","0.0544","0.0579","","","","","","1.042","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040277","18.615","0.0006","7.3343","0.0002","27.2528","0.0008","90","","90","","90","","3720.77","0.19","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Cl O3 Pt S3 -","- C14 H19 Cl O3 Pt S3 -","- C112 H152 Cl8 O24 Pt8 S24 -","8","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.05","0.0378","","","0.079","0.0825","","","","","","1.157","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040503","20.7982","0.0006","10.8952","0.0004","10.9832","0.0004","90","","90","","90","","2488.8","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9.5 H14.5 Cl1.5 N2.5 O Rh0.5 -","- C9.5 H14.5 Cl1.5 N2.5 O Rh0.5 -","- C76 H116 Cl12 N20 O8 Rh4 -","8","1","","Milutinović, Milan M; Bogojeski, Jovana V.; Klisurić, Olivera; Scheurer, Andreas; Elmroth, Sofi K. C.; Bugarčić, Živadin D","Synthesis and structures of a pincer-type rhodium(iii) complex: reactivity toward biomolecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15481","15491","10.1039/c6dt02772e","","","0.71073","MoKα","","0.0491","0.0331","","","0.0677","0.0734","","","","","","1.096","","","","has coordinates","188126","2020-10-21","18:00:00",""
"7040897","12.03","0.004","9.833","0.003","13.979","0.004","90","","90","","90","","1653.6","0.9","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N16 Si -","- C12 H8 N16 Si -","- C48 H32 N64 Si4 -","4","0.5","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0854","0.0442","","","0.0999","0.1212","","","","","","1.069","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040956","3.6071","0.0014","19.316","0.008","18.825","0.008","90","","90","","90","","1311.6","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","G2btk","","- C5 H14 N14 O2 -","- C5 H14 N14 O2 -","- C20 H56 N56 O8 -","4","0.5","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0599","0.0483","","","0.1165","0.1255","","","","","","1.002","","","","has coordinates","188197","2020-10-21","18:00:00",""
"7041027","23.9797","0.0003","20.7737","0.0002","24.0697","0.0003","90","","90","","90","","11990.3","0.2","99.9","0.5","99.9","0.5","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H147 Ce4 Co4 N18 O39 P12 -","- C71 H7 Ce4 Co4 N18 O39 P12 -","- C284 H28 Ce16 Co16 N72 O156 P48 -","4","0.5","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","0.71073","MoKα","","0.0649","0.0466","","","0.1208","0.1309","","","","","","1.003","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041117","21.7383","0.0004","11.5216","0.0002","18.8637","0.0003","90","","90","","90","","4724.6","0.14","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C19 H24 F6 N3 P Ru S -","- C19 H24 F6 N3 P Ru S -","- C152 H192 F48 N24 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.7107","MoKα","","0.0638","0.0503","","","0.1297","0.1405","","","","","","1.043","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041121","22.3084","0.0012","11.9982","0.0006","19.4421","0.0009","90","","90","","90","","5203.9","0.5","246","0.7","246","0.7","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H28 F6 N3 O P Ru S -","- C21 H28 F6 N3 O P Ru S -","- C168 H224 F48 N24 O8 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.2341","0.1081","","","0.3108","0.4148","","","","","","1.06","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041125","21.9788","0.0012","11.957","0.0004","19.9765","0.0011","90","","90","","90","","5249.8","0.4","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H29 F6 N3 O P Ru S -","- C21 H29 F6 N3 O P Ru S -","- C168 H232 F48 N24 O8 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.082","0.0684","","","0.1929","0.2077","","","","","","1.094","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041126","22.1419","0.0009","11.491","0.0004","19.2736","0.0008","90","","90","","90","","4903.8","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H52 F12 N6 P2 Ru2 S2 -","- C40 H54 F12 N6 P2 Ru2 S2 -","- C160 H216 F48 N24 P8 Ru8 S8 -","4","0.5","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.1147","0.0704","","","0.1648","0.1966","","","","","","1.085","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041158","18.4526","0.0013","7.4791","0.0005","35.431","0.003","90","","90","","90","","4889.8","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H16 Br4 Co N4 Pb -","- C20 H16 Br4 Co N4 Pb -","- C160 H128 Br32 Co8 N32 Pb8 -","8","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0795","0.0404","","","0.0708","0.081","","","","","","1.049","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041248","25.8427","0.001","21.4714","0.0009","12.3275","0.0004","90","","90","","90","","6840.3","0.4","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C33 H30 Co Mn N7 O4 -","- C33 H30 Co Mn N7 O4 -","- C264 H240 Co8 Mn8 N56 O32 -","8","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Lloret, Francesc; Julve, Miguel","Synthesis, crystal structure and magnetic properties of a cyanide-bridged heterometallic {Co(II)Mn(III)} chain.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","39","43","10.1039/c6dt04087j","","","1.54184","CuKα","","0.0877","0.0757","","","0.1815","0.1881","","","","","","1.128","","","","has coordinates,has disorder","191678","2020-10-21","18:00:00",""
"7041397","37.941","0.0006","19.9026","0.0004","14.3533","0.0003","90","","90","","90","","10838.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H29 Cd4 N9 O14 -","- C32 H28 Cd4 N9 O14 -","- C256 H224 Cd32 N72 O112 -","8","1","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.0905","0.0763","","","0.1523","0.1572","","","","","","1.141","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7041575","27.0677","0.0013","7.5081","0.0003","16.0875","0.0008","90","","90","","90","","3269.4","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H24 Cu N6 O10 -","- C36 H24 Cu N6 O10 -","- C144 H96 Cu4 N24 O40 -","4","0.5","","Raj, Pushap; Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder","Syntheses, crystal structures and photophysical properties of Cu(ii) complexes: fine tuning of a coordination sphere for selective binding of azamethiphos.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","985","994","10.1039/c6dt04039j","","","0.71073","MoKα","","0.0612","0.0374","","","0.0905","0.0984","","","","","","0.979","","","","has coordinates","191650","2020-10-21","18:00:00",""
"7041692","10.3812","0.0005","19.7434","0.0008","15.7821","0.0007","90","","90","","90","","3234.7","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C31 H36 Br Mn N2 O3 S2 -","- C31 H36 Br Mn N2 O3 S2 -","- C124 H144 Br4 Mn4 N8 O12 S8 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0935","0.0542","","","0.1276","0.1462","","","","","","1.02","","","","has coordinates,has disorder","193813","2020-10-21","18:00:00",""
"7041743","25.348","0.006","12.843","0.002","14.647","0.003","90","","90","","90","","4768.2","1.7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H42 Cl0 N0 O0 P2 Pd S4 -","- C50 H42 P2 Pd S4 -","- C200 H168 P8 Pd4 S16 -","4","0.5","","Wang, Jiang; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Jin-Xiang; Liu, Sheng-Hua; Chen, Zhong-Ning","An unprecedented photochromic system with cis-oriented dithienyl-dithiolenes supported by metal chelation.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","2023","2029","10.1039/c6dt04421b","","","0.71073","MoKα","","0.0893","0.0798","","","0.1657","0.1684","","","","","","1.142","","","","has coordinates","193803","2020-10-21","18:00:00",""
"7041845","17.981","0.006","9.755","0.003","18.506","0.006","90","","90","","90","","3246","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Compound1","","- C14 H11 B F4 Mo N4 O2 -","- C14 H11 B F4 Mo N4 O2 -","- C112 H88 B8 F32 Mo8 N32 O16 -","8","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.1007","0.0642","","","0.1329","0.1497","","","","","","1.09","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041913","20.0755","0.0012","9.1512","0.0008","12.2568","0.0007","90","","90","","90","","2251.8","0.3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Rubidium manganese borophosphate","Rubidium manganese borophosphate hydrate","","- B16 H6.96 Mn12 O107.02 P24 Rb9.05 -","- B16 H6.96 Mn12 O107.019 P24 Rb9.0508 -","- B16 H6.96 Mn12 O107.019 P24 Rb9.0508 -","1","0.125","","Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.; Ovchenkov, Evgeny A.; Tsirlin, Alexander A.; Shakin, Alexander A.; Volkova, Olga S.; Vasiliev, Alexander N.","Crystal structure and spin-trimer magnetism of Rb2.3(H2O)0.8Mn3[B4P6O24(O,OH)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2957","2965","10.1039/c6dt04241d","","","0.71073","MoKα","","0.2215","0.0565","","","0.0681","0.0857","","","","","","0.659","","","","has coordinates","193847","2020-10-21","18:00:00",""
"7042479","13.0722","0.0006","7.8927","0.0004","25.4406","0.0012","90","","90","","90","","2624.8","0.2","180","2","180.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H14 Br N S3 -","- C11 H14 Br N S3 -","- C88 H112 Br8 N8 S24 -","8","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0397","0.0378","","","0.0945","0.096","","","","","","1.062","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042578","17.893","0.005","19.791","0.005","17.617","0.005","90","","90","","90","","6239","3","298","2","298","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C62 H54 Ag2 B2 F8 N2 P4 S2 -","- C62 H54 Ag2 B2 F8 N2 P4 S2 -","- C248 H216 Ag8 B8 F32 N8 P16 S8 -","4","0.5","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71069","MoKα","","0.1121","0.0665","","","0.1414","0.1574","","","","","","1.058","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042580","19.6121","0.0004","17.036","0.0003","17.8281","0.0002","90","","90","","90","","5956.58","0.17","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C62 H54 Ag2 B2 F8 N2 O2 P4 -","- C62 H54 Ag2 B2 F8 N2 O2 P4 -","- C248 H216 Ag8 B8 F32 N8 O8 P16 -","4","0.5","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1095","0.0953","","","0.2609","0.274","","","","","","1.033","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042602","34.0219","0.0007","12.6029","0.0003","8.29345","0.00014","90","","90","","90","","3556.02","0.13","173","1","173","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","{[Dy2(PDOA)3(H2O)6]?2H2O}n","","- C15 H20 Dy O13 -","- C15 H20 Dy O13 -","- C120 H160 Dy8 O104 -","8","1","","Boča, R; Stolárová, M; Falvello, L. R.; Tomás, M; Titiš, J; Černák, J","Slow magnetic relaxations in a ladder-type Dy(iii) complex and its dinuclear analogue.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5344","5351","10.1039/c7dt00069c","","","0.71073","MoKα","","0.0218","0.0194","","","0.0427","0.0438","","","","","","1.045","","","","has coordinates","196421","2020-10-21","18:00:00",""
"7042672","30.8531","0.0018","10.9709","0.0007","17.1227","0.001","90","","90","","90","","5795.8","0.6","100","2","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H30 Br2 N4 Pd Se -","- C32 H30 Br2 N4 Pd Se -","- C256 H240 Br16 N32 Pd8 Se8 -","8","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.0566","0.0423","","","0.1018","0.1096","","","","","","1.037","","","","has coordinates","195338","2020-10-21","18:00:00",""
"7042741","13.1619","0.0004","13.0751","0.0004","33.1703","0.001","90","","90","","90","","5708.4","0.3","120","0.1","120","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H68 Cl3 N11 O7 Pb2 -","- C54 H68 Cl3 N11 O7 Pb2 -","- C216 H272 Cl12 N44 O28 Pb8 -","4","0.5","","Liberato, Andrea; Aguinaco, Almudena; Clares, Maria Paz; Delgado-Pinar, Estefania; Blasco, Salvador; Pitarch-Jarque, Javier; Basallote, Manuel G.; García-España, Enrique; Verdejo, Begoña","Pb2+ Complexes of Small-Cavity Azamacrocyclic Ligands. Thermodynamic and Kinetic Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00680B","","x-ray","0.71073","MoKα","","0.0765","0.0651","","","0.1313","0.135","","","","","","1.368","","","","has coordinates,has disorder","195646","2020-10-21","18:00:00",""
"7042901","9.508","0.004","21.381","0.008","15.841","0.006","90","","90","","90","","3220","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H22 B F10 N2 -","- C40 H22 B F10 N2 -","- C160 H88 B4 F40 N8 -","4","0.5","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1317","0.0578","","","0.135","0.1971","","","","","","1.056","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042904","10.3922","0.0019","19.522","0.003","39.998","0.006","90","","90","","90","","8115","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 B F5 N2 -","- C34 H22 B F5 N2 -","- C408 H264 B12 F60 N24 -","12","1.5","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1276","0.0544","","","0.1031","0.1306","","","","","","1.014","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042967","15.095","0.003","6.7677","0.0012","13.289","0.002","90","","90","","90","","1357.6","0.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H12 N12 O6 -","- C6 H12 N12 O6 -","- C24 H48 N48 O24 -","4","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.062","0.0427","","","0.1141","0.1277","","","","","","1.037","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7043015","13.5244","0.0003","12.0969","0.0003","9.8466","0.0002","90","","90","","90","","1610.94","0.06","200","","200","","","","","","","","Research School of Chemistry","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 B Br P2 -","- C12 H28 B Br P2 -","- C48 H112 B4 Br4 P8 -","4","0.5","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0386","0.0261","","0.0645","0.0597","0.0645","","","","","","0.9793","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043421","15.096","0.003","10.201","0.002","29.484","0.006","90","","90","","90","","4540.4","1.6","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H60 Cl4 Cu N2 O2 -","- C44 H60 Cl4 Cu N2 O2 -","- C176 H240 Cl16 Cu4 N8 O8 -","4","0.5","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.1646","0.1065","","","0.2753","0.3306","","","","","","1.056","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043590","10.43833","0.00016","19.6739","0.0003","35.9215","0.0006","90","","90","","90","","7376.9","0.2","292","","292","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 N2 O12 Rh S32 -","- C53 H40 N2 O12 Rh S32 -","- C212 H160 N8 O48 Rh4 S128 -","4","0.5","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun","Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate","Dalton Trans.","2017","","","","","10.1039/C7DT00881C","","","0.71073","MoKα","","0.0596","0.058","","0.128","0.1272","0.128","","","","","","1.0478","","","","has coordinates","198706","2020-10-21","18:00:00",""
"7043790","8.8221","0.0002","19.4655","0.0004","8.7295","0.0002","90","","90","","90","","1499.09","0.06","250","2","250","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0314","0.0282","","","0.0759","0.0784","","","","","","1.122","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043791","8.7142","0.0002","19.3795","0.0004","8.7366","0.0002","90","","90","","90","","1475.41","0.06","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0286","0.0265","","","0.0721","0.074","","","","","","1.092","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043792","8.8886","0.0004","19.5247","0.0008","8.7308","0.0004","90","","90","","90","","1515.21","0.12","300","2","300","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0358","0.0312","","","0.0832","0.0863","","","","","","1.14","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043793","8.7671","0.0002","19.4257","0.0004","8.733","0.0002","90","","90","","90","","1487.29","0.06","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0305","0.0279","","","0.0747","0.0769","","","","","","1.112","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043794","8.6711","0.0002","19.337","0.0004","8.7396","0.0002","90","","90","","90","","1465.4","0.06","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.026","0.024","","","0.0672","0.0686","","","","","","1.092","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043883","16.9338","0.0016","8.5206","0.0008","16.0788","0.0015","90","","90","","90","","2319.9","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H26 Ag2 N4 O4 -","- C23 H26 Ag2 N4 O4 -","- C92 H104 Ag8 N16 O16 -","4","0.5","","Huynh, Han Vinh; Koh, Christine Hui Min; Nguyen, Van Ha","Heteroleptic nickel(II)-diNHC complexes and unusual ‘reverse’ carbene-transfer to silver(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01912B","","","0.71073","MoKα","","0.036","0.0272","","","0.0625","0.0658","","","","","","1.048","","","","has coordinates","199451","2020-10-21","18:00:00",""
"7044236","18.968","0.006","26.452","0.008","20.5749","0.0013","90","","90","","90","","10323","5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C102 H70 Au4 N8 P4 -","- C102 H70 Au4 N8 P4 -","- C408 H280 Au16 N32 P16 -","4","0.5","","Ferrer, Montserrat; Giménez, Leticia; Gutiérrez, Albert; Lima, J. C. Carlos; Rodriguez, Laura; Martinez, Manuel; Martín, Avelino; Puttreddy, Rakesh; Rissanen, Kari","Polypyridyl-functionalizated alkynyl gold(I) metallaligands supported by tri- and tetradentate phosphanes","Dalton Trans.","2017","","","","","10.1039/C7DT02732J","","x-ray","0.71073","MoKα","","0.1264","0.0916","","","0.2216","0.2476","","","","","","1.13","","","","has coordinates","200917","2020-10-21","18:00:00",""
"7044476","5.476","0.01","8.331","0.015","5.787","0.007","90","","90","","90","","264","0.7","293","","293","","14800000","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ag F2 -","- Ag F2 -","- Ag8 F16 -","8","1","","Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W.","Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2","Dalton Trans.","2017","","","","","10.1039/C7DT03178E","powder diffraction","x-ray","0.4113","","","0.0228","0.0216","","0.0238","0.0225","","","","0.5","","","","","","","has coordinates","202044","2020-10-21","18:00:00",""
"7044884","27.0301","0.001","19.4983","0.0005","28.5432","0.0008","90","","90","","90","","15043.4","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H61 Cd4 N5 O23 -","- C52 H61 Cd4 N5 O23 -","- C416 H488 Cd32 N40 O184 -","8","1","","Ji, Wen-Juan; Hao, Rui-Qing; Pei, Wei-Wei; Feng, Lin; Zhai, Quan-Guo","Design of two isoreticular Cd-biphenyltetracarboxylate frameworks for dye adsorption, separation and photocatalytic degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","700","707","10.1039/c7dt04113f","","","0.71073","MoKα","","0.0713","0.0523","","","0.1534","0.1637","","","","","","1.067","","","","has coordinates","230060","2020-10-21","18:00:00",""
"7044938","20.1322","0.0007","11.2883","0.0003","17.4177","0.0006","90","","90","","90","","3958.3","0.2","120","","120","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl2 Fe N9 O8 -","- C46 H31 Cl2 Fe N9 O8 -","- C184 H124 Cl8 Fe4 N36 O32 -","4","0.5","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Lochenie, Charles; Weber, Birgit; Rüffer, Tobias","Bis-meridional Fe<sup>2+</sup> spincrossover complexes of phenyl and pyridyl substituted 2-(pyridin-2-yl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","491","506","10.1039/c7dt02320k","","","1.54184","CuKα","","0.1112","0.0765","","","0.1859","0.2075","","","","","","1.053","","","","has coordinates,has disorder","229569","2020-10-21","18:00:00",""
"7044994","19.486","0.005","19.226","0.005","17.324","0.004","90","","90","","90","","6490","3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","(Eind)Li(THF)(LiBr)]2","(Eind)Li LiBr complex","","- C64 H106 Br2 Li4 O2 -","- C64 H106 Br2 Li4 O2 -","- C256 H424 Br8 Li16 O8 -","4","0.5","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.1065","0.0762","","","0.1532","0.1696","","","","","","1.141","","","","has coordinates,has disorder","230073","2020-10-21","18:00:00",""
"7045036","11.811","0.0007","9.2017","0.0005","17.5762","0.0009","90","","90","","90","","1910.2","0.18","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Co N6 O2 -","- C20 H16 Co N6 O2 -","- C80 H64 Co4 N24 O8 -","4","0.5","","Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J.","Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","859","867","10.1039/c7dt04335j","","","0.71073","MoKα","","0.0662","0.0414","","","0.0926","0.1058","","","","","","1.041","","","","has coordinates","230055","2020-10-21","18:00:00",""
"7045085","20.2799","0.0007","7.3753","0.0003","22.274","0.0009","90","","90","","90","","3331.5","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H14 Fe N O3 Re -","- C19 H14 Fe N O3 Re -","- C152 H112 Fe8 N8 O24 Re8 -","8","1","","Oyarzo, Juan; Acuña, Alejandra; Klahn, Hugo; Arancibia, Rodrigo; Silva, Carlos P.; Bosque, Ramón; López, Concepción; Font-Bardía, Mercè; Calvis, Carme; Messeguer, Ramón","Isomeric and hybrid ferrocenyl/cyrhetrenyl aldimines: a new family of multifunctional compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1635","1649","10.1039/c7dt04142j","","","0.71073","MoKα","","0.0587","0.0336","","","0.0528","0.0601","","","","","","1.027","","","","has coordinates","229472","2020-10-21","18:00:00",""
"7045601","16.416","0.003","31.885","0.005","15.264","0.003","90","","90","","90","","7990","2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni-LA1","","- C70 H58 Cl4 N14 Ni2 O16 -","- C70 H58 Cl4 N14 Ni2 O16 -","- C280 H232 Cl16 N56 Ni8 O64 -","4","0.5","","Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying","Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4040","4044","10.1039/c8dt00252e","","","0.71073","MoKα","","0.203","0.0837","","","0.1659","0.1845","","","","","","0.94","","","","has coordinates,has disorder","230053","2020-10-21","18:00:00",""
"7045686","35.84","0.008","12.056","0.003","22.196","0.005","90","","90","","90","","9591","4","113","2","113","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C69 H45 Co2 F42 N8 O18 Tb -","- C69 H45 Co2 F42 N8 O18 Tb -","- C276 H180 Co8 F168 N32 O72 Tb4 -","4","0.5","","Sun, Guifang; Guo, Jianni; Yang, Meng; Xi, Lu; Li, Licun; Sutter, Jean-Pascal","Two-dimensional Co-Ln networks bridged by phenyl pyrimidyl substituted nitronyl nitroxides: structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4672","4677","10.1039/c8dt00270c","","","0.71073","MoKα","","0.1926","0.0958","","","0.217","0.2818","","","","","","1.053","","","","has coordinates","229753","2020-10-21","18:00:00",""
"7045757","11.2674","0.0006","12.6042","0.0005","19.7795","0.0008","90","","90","","90","","2809","0.2","99.98","0.1","99.98","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H24 Co F12 N8 O8 S4 -","- C10 H24 Co F12 N8 O8 S4 -","- C40 H96 Co4 F48 N32 O32 S16 -","4","0.5","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0384","0.0298","","","0.0654","0.0702","","","","","","1.049","","","","has coordinates,has disorder","229767","2020-10-21","18:00:00",""
"7045853","30.2479","0.0005","10.4435","0.0002","5.98706","0.0001","90","","90","","90","","1891.28","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 Ag F5 S2 -","- C7 Ag F5 S2 -","- C56 Ag8 F40 S16 -","8","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0243","0.0214","","","0.0541","0.0557","","","","","","1.043","","","","has coordinates","229542","2020-10-21","18:00:00",""
"7046275","15.16029","0.00017","27.6648","0.0003","21.7294","0.0002","90","","90","","90","","9113.45","0.17","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H74 B2 Mg N2 O4 -","- C45 H74 B2 Mg N2 O4 -","- C360 H592 B16 Mg8 N16 O32 -","8","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","","1.54184","CuKα","","0.0746","0.0646","","","0.1671","0.1759","","","","","","1.039","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046575","19.4349","0.0005","9.0565","0.0002","14.4674","0.0004","90","","90","","90","","2546.44","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H40 Ti2 -","- C30 H40 Ti2 -","- C120 H160 Ti8 -","4","0.5","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel","Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8921","8932","10.1039/c8dt01909f","","","0.71073","MoKα","","0.038","0.0298","","","0.076","0.0818","","","","","","1.028","","","","has coordinates","229333","2020-10-21","18:00:00",""
"7046690","20.2152","0.0004","8.9592","0.0002","15.8327","0.0003","90","","90","","90","","2867.49","0.1","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Co N2 O2 -","- C38 H28 Co N2 O2 -","- C152 H112 Co4 N8 O8 -","4","0.5","","Böhme, Michael; Ziegenbalg, Sven; Aliabadi, Azar; Schnegg, Alexander; Görls, Helmar; Plass, Winfried","Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N<sub>2</sub>O<sub>2</sub>] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10861","10873","10.1039/c8dt01530a","","","0.71073","MoKα","","0.0725","0.0549","","","0.1234","0.1328","","","","","","1.104","","","","has coordinates","229362","2020-10-21","18:00:00",""
"7046800","16.08984","0.00016","18.88601","0.00013","15.90472","0.00014","90","","90","","90","","4833.01","0.07","120","1","120","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H56 Cl2 Cu2 F12 N14 Sb2 -","- C30 H56 Cl2 Cu2 F12 N14 Sb2 -","- C120 H224 Cl8 Cu8 F48 N56 Sb8 -","4","0.5","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","x-ray","0.71073","MoKα","","0.0562","0.0454","","","0.1026","0.1077","","","","","","1.041","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7047041","19.171","0.004","18.08","0.004","40.633","0.008","90","","90","","90","","14084","5","200","","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70.23 H98.26 Co F6 N6 Sb -","- C70.224 H98.256 Co F6 N6 Sb -","- C561.792 H786.048 Co8 F48 N48 Sb8 -","8","1","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.1053","0.0553","","","0.139","0.1597","","","","","","1.026","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047322","11.3988","0.0006","14.335","0.0008","10.8986","0.0006","90","","90","","90","","1780.85","0.17","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H30 F Sc -","- C20 H30 F Sc -","- C80 H120 F4 Sc4 -","4","0.5","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.043","0.0361","","","0.0949","0.1001","","","","","","1.077","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047394","36.9994","0.0014","7.5906","0.0003","23.8697","0.0009","90","","90","","90","","6703.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H6 Eu2 O26 S3 -","- C18 H6 Eu2 O26 S3 -","- C144 H48 Eu16 O208 S24 -","8","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.0746","0.0392","","","0.0695","0.0783","","","","","","1.046","","","","has coordinates","230035","2020-10-21","18:00:00",""
"7047653","18.9094","0.0006","16.388","0.0005","17.9115","0.0005","90","","90","","90","","5550.5","0.3","173","","173","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C27 H23 Au Br Cl N3 O4 P -","- C27 H23 Au Br Cl N3 O4 P -","- C216 H184 Au8 Br8 Cl8 N24 O32 P8 -","8","1","","Afolabi, Fatai; Souissi, Wided; Rivière, Guillaume; Lemaitre, Clément; Roe, S. Mark; Crickmore, Neil; Viseux, Eddy M. E.","Synthesis of novel heteroleptic delocalised cationic pyrazole gold complexes as potent HepG2 cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15338","15343","10.1039/c8dt02832j","","x-ray","1.54184","CuKα","","0.0911","0.0755","","","0.201","0.2154","","","","","","1.057","","","","has coordinates","229437","2020-10-21","18:00:00",""
"7047929","12.85","0.0007","18.1669","0.0008","16.6491","0.0009","90","","90","","90","","3886.6","0.3","93","","93","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C30 H42 Br F12 N6 O3 P2 Ru2 -","- C30 H40 Br F12 N6 O3 P2 Ru2 -","- C120 H160 Br4 F48 N24 O12 P8 Ru8 -","4","0.5","","Misawa-Suzuki, T.; Matsuya, K.; Watanabe, T.; Nagao, H.","Triply bridged dinuclear ruthenium complexes bearing alkylbis(2-pyridylmethyl)amine in the mixed-valence state of Ru(ii)‒Ru(iii)","Dalton Transactions","2018","","","","","10.1039/C8DT03507E","","","0.7107","MoKα","","0.0463","0.0459","","","0.1089","0.1092","","","","","","1.104","","","","has coordinates","211734","2020-10-21","18:00:00",""
"7048037","21.2829","0.0007","8.2036","0.0003","16.1186","0.0006","90","","90","","90","","2814.25","0.17","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H39 N2 P -","- C32 H39 N2 P -","- C128 H156 N8 P4 -","4","0.5","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Imino-stabilised phosphinidene (or azaphosphole?) and some of its derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17011","17019","10.1039/c8dt03465f","","","0.71073","MoKα","","0.0873","0.0479","","","0.1119","0.1341","","","","","","1.022","","","","has coordinates","229679","2020-10-21","18:00:00",""
"7048258","17.5819","0.0006","20.2747","0.0008","15.0045","0.0006","90","","90","","90","","5348.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10.5 H21 Ag2 N6 O16.5 Pt3 -","- C10.5 H18 Ag2 N6 O16.5 Pt3 -","- C84 H144 Ag16 N48 O132 Pt24 -","8","1","","Hoshino, Norihisa; Fujita, Sena; Akutagawa, Tomoyuki","The trinuclear platinum(ii) complex in Vèzes' red salt as a building block of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","176","181","10.1039/c8dt04121k","","","1.54187","CuKα","","0.126","0.0804","","","0.1897","0.2232","","","","","","1.075","","","","has coordinates","223932","2020-10-21","18:00:00",""
"7048286","16.5388","0.0016","15.5576","0.0014","26.972","0.002","90","","90","","90","","6940","1.1","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27.5 H34 B10 Cl3 N P2 Pd -","- C27.5 H34 B10 Cl3 N P2 Pd -","- C220 H272 B80 Cl24 N8 P16 Pd8 -","8","1","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.1124","0.0621","","","0.0976","0.1125","","","","","","1.056","","","","has coordinates,has disorder","224139","2020-10-21","18:00:00",""
"7048422","35.713","0.003","8.9897","0.0008","19.7599","0.0013","90","","90","","90","","6343.9","0.9","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H50 B2 Li2 O2 -","- C30 H50 B2 Li2 O2 -","- C240 H400 B16 Li16 O16 -","8","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.2007","0.0703","","","0.1408","0.1841","","","","","","0.872","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048447","23.937","0.003","18.786","0.002","15.8863","0.0018","90","","90","","90","","7143.8","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H50 N14 O15 Zn2 -","- C72 H47.882 N14 O15 Zn2 -","- C288 H191.528 N56 O60 Zn8 -","4","0.5","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0932","0.0646","","","0.1923","0.2091","","","","","","1.062","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048501","24.4133","0.0004","15.2016","0.0002","12.9342","0.0002","90","","90","","90","","4800.16","0.13","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","η5-Pentamethylcyclopentadienyliridium(1-(2-chloro-6-fluorophenylmethyl)-3-methylimidazolin-2-ylidene) carbonate","","- C22 H29 Cl F Ir N2 O5 -","- C22 H29 Cl F Ir N2 O5 -","- C176 H232 Cl8 F8 Ir8 N16 O40 -","8","1","","Marr, Andrew C.; Morgan, Patrick J.; Saunders, Graham C.; Thomas, Hayden P.","Conversion of haloform to carbonate by iridium N-heterocyclic carbene complexes and silver(i) oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1947","1949","10.1039/c8dt04456b","","x-ray","1.54184","CuKα","","0.0545","0.0409","","","0.1101","0.1259","","","","","","1.0599","","","","has coordinates","224157","2020-10-21","18:00:00",""
"7048586","14.1995","0.0007","8.0887","0.0005","15.09","0.0008","90","","90","","90","","1733.17","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Cl2 Fe N4 -","- C16 H22 Cl2 Fe N4 -","- C64 H88 Cl8 Fe4 N16 -","4","0.5","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0433","0.0289","","","0.0642","0.0694","","","","","","1.049","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048774","40.661","0.006","20.363","0.003","36.72","0.005","90","","90","","90","","30403","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C290 H344 Ba8 Cl8 O40 Si8 Zr4 -","- C290 H344 Ba8 Cl8 O40 Si8 Zr4 -","- C1160 H1376 Ba32 Cl32 O160 Si32 Zr16 -","4","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0861","0.0695","","","0.1819","0.1923","","","","","","1.123","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048811","30.906","0.002","20.3398","0.0015","7.5421","0.0006","90","","90","","90","","4741.1","0.6","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H58 Cl3 Dy O14 P2 -","- C38 H56 Cl3 Dy O14 P2 -","- C152 H224 Cl12 Dy4 O56 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.085","0.0813","","","0.1753","0.1772","","","","","","1.004","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048812","30.875","0.003","20.3031","0.0017","7.5804","0.0006","90","","90","","90","","4751.8","0.7","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H54 Cl3 Gd O12 P2 -","- C38 H54 Cl3 Gd O12 P2 -","- C152 H216 Cl12 Gd4 O48 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.1012","0.0969","","","0.2212","0.2233","","","","","","1.01","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048813","30.722","0.002","20.3442","0.0014","7.5758","0.0005","90","","90","","90","","4735","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H56 Cl3 Er O13 P2 -","- C38 H56 Cl3 Er O13 P2 -","- C152 H224 Cl12 Er4 O52 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.0716","0.0622","","","0.1307","0.1351","","","","","","1.006","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048886","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF-50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina M; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Gándara, Felipe; Monge, M Ángeles","Anionic and neutral 2D indium metal-organic frameworks as catalysts for the Ugi one-pot multicomponent reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2988","2995","10.1039/c8dt04977g","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","224319","2020-10-21","18:00:00",""
"7049028","16.397","0.003","19.194","0.004","17.667","0.004","90","","90","","90","","5560","2","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 Fe N5 O2 -","- C67 H67 B2 Fe N5 O2 -","- C268 H268 B8 Fe4 N20 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.0812","0.0571","","","0.1312","0.1491","","","","","","1.039","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049029","16.401","0.006","19.168","0.007","17.676","0.007","90","","90","","90","","5557","4","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 Co N5 O2 -","- C67 H67 B2 Co N5 O2 -","- C268 H268 B8 Co4 N20 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.0539","0.0385","","","0.0925","0.1024","","","","","","1.029","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049030","16.409","0.01","19.183","0.011","17.634","0.01","90","","90","","90","","5551","6","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 N5 Ni O2 -","- C67 H67 B2 N5 Ni O2 -","- C268 H268 B8 N20 Ni4 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.095","0.0521","","","0.1054","0.1275","","","","","","1.028","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049082","16.675","0.001","14.4166","0.0004","15.3498","0.0005","90","","90","","90","","3690","0.3","120","0.1","120","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-nitrobenzyldi(2-pyridyl)amine)platinum(II) triflate","","- C34 H36 Br2 N8 O8 Pt -","- C34 H36 Br2 N8 O8 Pt -","- C136 H144 Br8 N32 O32 Pt4 -","4","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","0.71073","MoKα","","0.0715","0.0349","","","0.0663","0.078","","","","","","1.049","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049099","34.4941","0.001","8.2825","0.0002","17.2074","0.0005","90","","90","","90","","4916.1","0.2","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","PH2[2,6-{CH(C6H4tBu)2}-4-Me-C6H2","","- C33 H29 P -","- C33 H29 P -","- C264 H232 P8 -","8","1","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","1.54184","CuKα","","0.0477","0.0337","","","0.0759","0.0829","","","","","","1.032","","","","has coordinates,has disorder","224530","2020-10-21","18:00:00",""
"7049362","17.8573","0.0008","11.1476","0.0005","17.9233","0.0007","90","","90","","90","","3567.9","0.3","150","","150","","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C16 H56 Ca Li2 N4 Si8 -","- C16 H56 Ca Li2 N4 Si8 -","- C64 H224 Ca4 Li8 N16 Si32 -","4","0.5","","le Coz, Erwann; Roueindeji, Hanieh; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5500","5504","10.1039/c9dt00771g","","x-ray","0.71073","MoKα","","0.0407","0.0334","","","0.0792","0.0849","","","","","","1.109","","","","has coordinates","224100","2020-10-21","18:00:00",""
"7049668","20.82","0.003","22.79","0.003","33.942","0.004","90","","90","","90","","16105","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C166 H124 N16 O24 Re4 -","- C166 H124 N16 O24 Re4 -","- C664 H496 N64 O96 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1211","0.0543","","","0.1214","0.1594","","","","","","1.004","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049670","20.942","0.002","23.014","0.002","34.149","0.003","90","","90","","90","","16458","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C156 H116 N16 O28 Re4 -","- C156 H116 N16 O28 Re4 -","- C624 H464 N64 O112 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1358","0.0858","","","0.1538","0.1718","","","","","","1.106","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049787","18.013","0.007","14.239","0.006","15.42","0.006","90","","90","","90","","3955","3","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H57 Al3 N6 Si4 -","- C27 H57 Al3 N6 Si4 -","- C108 H228 Al12 N24 Si16 -","4","0.5","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71073","MoKα","","0.091","0.0669","","","0.1791","0.2081","","","","","","1.069","","","","has coordinates,has disorder","224461","2020-10-21","18:00:00",""
"7049875","10.1423","0.0004","13.9652","0.0006","15.8918","0.0006","90","","90","","90","","2250.9","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Ce I3 O3 -","- C12 H30 Ce I3 O3 -","- C48 H120 Ce4 I12 O12 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0494","0.0291","","","0.0556","0.0645","","","","","","1.02","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049876","10.0662","0.0007","13.8437","0.001","15.8345","0.0011","90","","90","","90","","2206.6","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Sm -","- C12 H30 I3 O3 Sm -","- C48 H120 I12 O12 Sm4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0614","0.0341","","","0.0811","0.1045","","","","","","1.113","","","","has coordinates,has disorder","224430","2020-10-21","18:00:00",""
"7049877","10.0273","0.0006","13.7816","0.0009","15.791","0.0011","90","","90","","90","","2182.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Tb -","- C12 H30 I3 O3 Tb -","- C48 H120 I12 O12 Tb4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.028","0.0235","","","0.0553","0.0571","","","","","","1.073","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049879","10.0525","0.0012","13.8205","0.0017","15.8047","0.0019","90","","90","","90","","2195.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Gd I3 O3 -","- C12 H30 Gd I3 O3 -","- C48 H120 Gd4 I12 O12 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0319","0.0239","","","0.0499","0.0545","","","","","","1.198","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049882","10.1152","0.0004","13.9216","0.0007","15.8716","0.0008","90","","90","","90","","2235.04","0.18","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Pr -","- C12 H30 I3 O3 Pr -","- C48 H120 I12 O12 Pr4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0369","0.0255","","","0.0653","0.0747","","","","","","1.09","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049900","13.3678","0.0006","14.1378","0.0006","19.1085","0.0008","90","","90","","90","","3611.3","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H24 Bi2 Br12 N6 -","- C15 H24 Bi2 Br12 N6 -","- C60 H96 Bi8 Br48 N24 -","4","0.5","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0636","0.0329","","","0.075","0.0854","","","","","","0.994","","","","has coordinates,has disorder","223828","2020-10-21","18:00:00",""
"7050011","12.997","0.0002","18.486","0.0002","16.127","0.0003","90","","90","","90","","3874.71","0.1","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H60 N8 O8 -","- C36 H60 N8 O8 -","- C144 H240 N32 O32 -","4","0.5","","Meyer, Michel; Frémond, Laurent; Espinosa, Enrique; Brandès, Stéphane; Yves Vollmer, Guy; Guilard, Roger","Synthesis, characterization and X-ray crystal structures of cyclam derivatives. 7. Hydrogen-bond induced allosteric effects and protonation cooperativity in a macrotricyclic bisdioxocyclam receptor","New Journal of Chemistry","2005","29","9","1121","","10.1039/b508076b","","","0.7107","MoKα","","0.1415","0.0532","","","0.0992","0.1288","","","","","","1.004","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050015","10.902","0.001","12.36","0.001","17.546","0.002","90","","90","","90","","2364.3","0.4","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11.5 H7 F3 N2 S -","- C11.25 H7 F3 N2 S -","- C90 H56 F24 N16 S8 -","8","1","","Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow","Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites","New Journal of Chemistry","2005","29","3","439","","10.1039/b409274k","","","1.5418","CuKα","","0.0673","0.0673","","0.1183","","0.1183","","","1.987","","","1.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050127","17.254","0.0002","8.395","0.0004","15.994","0.0006","90","0.001","90","0.001","90","0.002","2316.69","0.14","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 N O2 -","- C14 H12 N O2 -","- C112 H96 N8 O16 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0939","0.066","","","0.1532","0.1711","","","","","","1.054","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050251","15.8893","0.0003","9.7361","0.0002","13.328","0.0002","90","","90","","90","","2061.84","0.07","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3-bis-fluoren-9-ylidene-succinic acid","2,3-bis-fluoren-9-ylidene-succinic acid","","- C30 H18 O4 -","- C30 H18 O4 -","- C120 H72 O16 -","4","0.5","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0518","0.0376","","","0.089","0.0949","","","","","","1.043","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050360","16.836","0.003","19.452","0.004","7.4853","0.0015","90","","90","","90","","2451.5","0.9","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 Fe2 O4 Zn -","- C28 H26 Fe2 O4 Zn -","- C112 H104 Fe8 O16 Zn4 -","4","0.5","","Hongwei Hou; Yaoting Fan; Gang Li; Zi-Feng Li; Xiangru Meng","Novel Zinc(II) Coordination Polymers Constructed From Ferrocenyl Carboxylate Ligands","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0626","0.038","","","0.0728","0.0774","","","","","","0.967","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050660","17.2047","0.0011","11.8608","0.0008","7.3253","0.0005","90","","90","","90","","1494.81","0.17","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D.","Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/","New Journal of Chemistry","2003","27","11","1670","","10.1039/b307306h","","","0.71073","MoKα","","0.0427","0.0354","","","0.0824","0.086","","","","","","1.055","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050742","19.917","0.004","7.627","0.002","8.677","0.002","90","","90","","90","","1318.1","0.5","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","N,N'-Bis(2-pyridyl)-1,3-diaminobenzene","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz","Supramolecular structures formed by 2-aminopyridine derivatives.","New Journal of Chemistry","2002","26","4","448","","10.1039/b108861k","","","0.71073","MoKα","","0.1054","0.0378","","","0.1001","0.1103","","","","","","1.016","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050946","10.1511","0.0011","24.438","0.003","9.844","0.0011","90","","90","","90","","2442.1","0.5","223","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H38 As Cl P2 -","- C22 H38 As Cl P2 -","- C88 H152 As4 Cl4 P8 -","4","0.5","","Jones, Cameron; Junk, Peter; Richards, Anne F.; Waugh, M.","The interaction of phosphavinyl Grignard reagents with group 15 halides: synthesis and structural characterization of novel heterocyclic and heterocage compounds","New Journal of Chemistry","2002","","","","","10.1039/b204663f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7050953","10.124","0.002","23.941","0.005","9.791","0.002","90","","90","","90","","2373.1","0.8","150","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H40 Cl P3 -","- C22 H38 Cl P3 -","- C88 H152 Cl4 P12 -","4","0.5","","Jones, Cameron; Junk, Peter; Richards, Anne F.; Waugh, M.","The interaction of phosphavinyl Grignard reagents with group 15 halides: synthesis and structural characterization of novel heterocyclic and heterocage compounds","New Journal of Chemistry","2002","","","","","10.1039/b204663f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7051091","23.255","0.003","11.484","0.002","6.936","0.009","90","","90","","90","","1852","2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O -","- C12 H9 N O -","- C96 H72 N8 O8 -","8","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.1056","0.0408","","","0.0957","0.1156","","","","","","0.999","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051302","17.345","0.0004","13.816","0.0003","10.513","0.0003","90","","90","","90","","2519.3","0.2","294","","294","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Fe N4 O6 -","- C24 H24 Fe0.5 N4 O6 -","- C96 H96 Fe2 N16 O24 -","4","0.5","","","","New Journal of Chemistry","2000","","","","","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7051381","28.534","0.008","15.244","0.008","12.982","0.008","90","","90","","90","","5646.8","4.8","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C64 H62 Co4 O16 -","- C64 H54 Co4 O16 -","- C256 H216 Co16 O64 -","4","0.5","","","","New Journal of Chemistry","1999","","","","","10.1039/a806501b","","","","","","","0.0844","","","0.2333","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7051730","13.9254","0.0003","13.0617","0.0003","21.3133","0.0004","90","","90","","90","","3876.66","0.14","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H20 F N5 O S -","- C20 H20 F N5 O S -","- C160 H160 F8 N40 O8 S8 -","8","1","","Xie, Xiangyun; Liu, Lang; Jia, Dianzeng; Guo, Jixi; Wu, Dongling; Xie, Xiaolin","Photo-switch and INHIBIT logic gate based on two pyrazolone thiosemicarbazone derivatives","New Journal of Chemistry","2009","33","11","2232","","10.1039/b908326j","","","0.71073","MoKα","","0.0385","0.0334","","","0.0909","0.0946","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051731","13.4486","0.0008","13.3331","0.0009","21.691","0.0012","90","","90","","90","","3889.4","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19.5 H20 F N5 O1.5 S -","- C19.5 H18.5 F N5 O1.5 S -","- C156 H148 F8 N40 O12 S8 -","8","1","","Xie, Xiangyun; Liu, Lang; Jia, Dianzeng; Guo, Jixi; Wu, Dongling; Xie, Xiaolin","Photo-switch and INHIBIT logic gate based on two pyrazolone thiosemicarbazone derivatives","New Journal of Chemistry","2009","33","11","2232","","10.1039/b908326j","","","0.71073","MoKα","","0.0973","0.0603","","","0.1543","0.1748","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051755","13.7147","0.0017","29.563","0.004","16.5","0.002","90","","90","","90","","6689.9","1.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H83.16 F12 N2 O16.58 P2 -","- C62 H82 F12 N2 O16.576 P2 -","- C248 H328 F48 N8 O66.304 P8 -","4","0.5","","Nikitin, Kirill; Müller-Bunz, Helge","Encapsulation of 4,4′-bipyridinium cations by two crown ether molecules: formation and structure of [3]pseudorotaxanes","New Journal of Chemistry","2009","33","12","2472","","10.1039/b9nj00414a","","","0.71073","MoKα","","0.0733","0.0677","","","0.1947","0.2004","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051862","15.879","0.004","17.556","0.004","29.381","0.006","90","","90","","90","","8191","3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H118 Ga2 Hf O -","- C86 H118 Ga2 Hf O -","- C344 H472 Ga8 Hf4 O4 -","4","0.5","","Quillian, Brandon; Wang, Yuzhong; Wei, Pingrong; Robinson, Gregory H.","Organometallic compounds containing new Hf‒Ga and Hf‒In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = ‒C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","New Journal of Chemistry","2008","32","5","774","","10.1039/b718429h","","","0.71073","MoKα","","0.1602","0.0614","","","0.1563","0.2307","","","","","","1.013","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051863","15.748","0.004","17.855","0.005","29.708","0.008","90","","90","","90","","8353","4","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H118 Hf In2 O -","- C86 H118 Hf In2 O -","- C344 H472 Hf4 In8 O4 -","4","0.5","","Quillian, Brandon; Wang, Yuzhong; Wei, Pingrong; Robinson, Gregory H.","Organometallic compounds containing new Hf‒Ga and Hf‒In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = ‒C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","New Journal of Chemistry","2008","32","5","774","","10.1039/b718429h","","","0.71073","MoKα","","0.1882","0.0653","","","0.1452","0.208","","","","","","1.01","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051913","16.0623","0.0011","7.8336","0.0005","21.4841","0.0014","90","","90","","90","","2703.3","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.0583","0.0391","","","0.1028","0.1172","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051937","14.9066","0.0005","7.6269","0.0002","26.9624","0.001","90","","90","","90","","3065.39","0.17","150","2","150","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C12 H10 N2 Ni O6 V2 -","- C12 H10 N2 Ni O6 V2 -","- C96 H80 N16 Ni8 O48 V16 -","8","1","","Fernández de Luis, Roberto; Mesa, José L.; Urtiaga, Miren K.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Topological description of a 3D self-catenated nickel hybrid vanadate Ni(bpe)(VO3)2. Thermal stability, spectroscopic and magnetic properties","New Journal of Chemistry","2008","32","9","1582","","10.1039/b800820e","","x-ray","0.71073","MoKα","","0.0569","0.0373","","","0.087","0.0917","","","","","","0.976","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7052029","19.1391","0.0003","21.8802","0.0003","29.514","0.0005","90","","90","","90","","12359.5","0.3","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C82 H153 Eu2 N2 Na2 O79.5 S10 -","- C82 H64 Eu2 N2 Na O79.5 S10 -","- C328 H256 Eu8 N8 Na4 O318 S40 -","4","0.5","","Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L.","Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers","New Journal of Chemistry","2008","32","12","2100","","10.1039/b810229e","","","0.71073","MoKα","","0.1044","0.0686","","","0.1802","0.2144","","","","","","1.038","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052069","16.936","0.003","15.203","0.003","21.457","0.004","90","","90","","90","","5524.7","1.8","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H58 Cl2 Fe4 N8 O18 -","- C52 H58 Cl2 Fe4 N8 O18 -","- C208 H232 Cl8 Fe16 N32 O72 -","4","0.5","","Sujit K. Dutta; Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Cristoph Saal; Wolfgang Haase; Kamalaksha Nag","Formation of oxo-bridged tetrairon(iii) complexes mediated by oxygen activation. Structure, spectroscopy, magnetism and electrochemistry","New Journal of Chemistry","2007","31","1","93","","10.1039/b610649h","","","0.71073","MoKα","","0.2755","0.0583","","","0.0876","0.1355","","","","","","0.733","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052182","17.932","0.001","12.292","0.001","20.981","0.001","90","","90","","90","","4624.6","0.5","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H29 P S Si2 -","- C23 H29 P S Si2 -","- C184 H232 P8 S8 Si16 -","8","1","","Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Experimental and theoretical study of phosphinine sulfides","New Journal of Chemistry","2007","31","8","1493","","10.1039/b702851b","","","0.71069","MoKα","","0.043","0.0332","","","0.094","0.0998","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052604","9.339","0.008","15.689","0.014","12.461","0.011","90","","90","","90","","1826","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H23 Br2 N2 O3.5 -","- C15 H20 Br2 N2 O2 -","- C60 H80 Br8 N8 O8 -","4","0.5","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.055","0.0327","","","0.0772","0.082","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052654","10.2016","0.0004","18.2596","0.0008","20.2098","0.0006","90","","90","","90","","3764.6","0.2","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H26 Cu2 I2 S2 -","- C12 H26 Cu2 I2 S2 -","- C96 H208 Cu16 I16 S16 -","8","1","","Knorr, Michael; Guyon, Fabrice; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Harvey, Pierre D.","Effect of t-BuS vs. n-BuS on the topology, Cu⋯Cu distances and luminescence properties of 2D Cu4I4/RS(CH2)4SR metal‒organic frameworks","New Journal of Chemistry","2011","35","6","1184","","10.1039/c0nj00923g","","","0.71073","MoKα","","0.0756","0.0566","","","0.103","0.1124","","","","","","1.111","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052835","43.982","0.011","8.85","0.002","9.627","0.002","90","","90","","90","","3747.2","1.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H8.5 N8.5 O10.5 -","- C15 H8.5 N8.5 O10.5 -","- C120 H68 N68 O84 -","8","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0928","0.0678","","","0.1268","0.1367","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052951","17.889","0.003","8.6684","0.0009","18.288","0.002","90","","90","","90","","2835.9","0.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H30 N8 O3 -","- C29 H30 N8 O3 -","- C116 H120 N32 O12 -","4","0.5","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.1005","0.0759","","","0.2082","0.2268","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053176","22.437","0.008","24.63","0.007","14.141","0.008","90","","90","","90","","7815","6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 N12 O17.5 Zr -","- C28 H32 N12 O17.5 Zr -","- C224 H256 N96 O140 Zr8 -","8","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1502","0.1099","","","0.3252","0.3678","","","","","","1.409","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053179","10.3719","0.0007","21.7887","0.0015","17.3292","0.0012","90","","90","","90","","3916.2","0.5","180","","180","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H36 K2 N6 O20 Zr -","- C30 H32 K2 N6 O20 Zr -","- C120 H128 K8 N24 O80 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0732","0.0478","","0.0723","0.0544","0.053","","","","","","1.0525","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053190","25.538","0.0016","15.5011","0.0009","14.6239","0.0009","90","","90","","90","","5789.1","0.6","180","2","180","2","","","","","","","synthesis as described","8","P b c n","-P 2n 2ab","60","","","","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C200 H192 Cl16 F48 N40 O16 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.1029","0.0562","","","0.142","0.1741","","","","","","1.038","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053494","19.661","0.004","21.434","0.004","17.18","0.003","90","","90","","90","","7240","2","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H116 K4 Li4 N12 O8 -","- C52 H116 K4 Li4 N12 O8 -","- C208 H464 K16 Li16 N48 O32 -","4","0.5","","Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline","Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether","New Journal of Chemistry","2010","34","8","1678","","10.1039/c0nj00088d","","","0.71073","MoKα","","0.1375","0.0802","","","0.2073","0.2471","","","","","","1.036","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053595","17.026","0.001","9.952","0.001","13.23","0.001","90","","90","","90","","2241.7","0.3","150","0.1","150","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H28 Si -","- C30 H28 Si -","- C120 H112 Si4 -","4","0.5","","Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien","Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation","New Journal of Chemistry","2010","34","10","2290","","10.1039/c0nj00274g","","","0.71069","MoKα","","0.1067","0.0892","","","0.236","0.2523","","","","","","1.064","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053732","23.061","0.002","13.5958","0.0014","20.094","0.002","90","","90","","90","","6300.1","1.1","190","1","190","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H36 Cl3 N4 O5 Pr -","- C26 H30 Cl3 N4 O3 Pr -","- C208 H240 Cl24 N32 O24 Pr8 -","8","1","","Bučar, Dejan-Krešimir; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; MacGillivray, Leonard R.","A lanthanide-based helicate coordination polymer derived from a rigid monodentate organic bridge synthesized in the solid state","New Journal of Chemistry","2008","32","5","797","","10.1039/b800878g","","","0.71073","MoKα","","0.0489","0.0246","","","0.0441","0.046","","","","","","0.85","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053775","15.701","0.002","13.1938","0.0016","16.31","0.002","90","","90","","90","","3378.7","0.7","123","2","123","2","","","","","","","dichloromethane-hexane","5","P b c n","-P 2n 2ab","60","[AgCl(IDitop)]","","","- C43 H36 Ag Cl N2 -","- C43 H36 Ag Cl N2 -","- C172 H144 Ag4 Cl4 N8 -","4","0.5","","Alexander, Sean G.; Cole, Marcus L.; Morris, Jonathan C.","Preparation of a super bulky silver N-heterocyclic carbene complex","New Journal of Chemistry","2009","33","4","720","","10.1039/b821368b","","x-ray","0.71073","MoKα","","0.1148","0.0989","","","0.158","0.1637","","","","","","1.227","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053979","14.6062","0.0015","17.4899","0.0016","13.2962","0.0015","90","","90","","90","","3396.7","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B10 O21 Pb4 Zn2 -","- B10 O21 Pb4 Zn2 -","- B80 O168 Pb32 Zn16 -","8","1","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Zhang, Bingbing; Dong, Lingyun; Han, Shujuan; Yang, Zhihua","Pb4Zn2B10O21: a congruently melting lead zinc borate with a novel [B10O24] anionic group and an interesting [Pb4O12]∞chain","New Journal of Chemistry","2014","38","1","285","","10.1039/c3nj00893b","","","0.71073","MoKα","","0.0488","0.0289","","","0.0623","0.0702","","","","","","1.03","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054022","19.423","0.0005","8.6184","0.0002","16.8313","0.0005","90","","90","","90","","2817.48","0.13","295","0.2","295","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H16 Cu N6 O5 -","- C10 H16 Cu N6 O5 -","- C80 H128 Cu8 N48 O40 -","8","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0401","0.0329","","","0.0858","0.0894","","","","","","1.036","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054392","19.8159","0.0006","13.1908","0.0006","25.0863","0.0009","90","","90","","90","","6557.2","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H52 Cu3 N18 O18 S4 -","- C56 H52 Cu3 N18 O18 S4 -","- C224 H208 Cu12 N72 O72 S16 -","4","0.5","","Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta","Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects","New J. Chem.","2014","38","11","5349","","10.1039/C4NJ00977K","","x-ray","0.71073","MoKα","","0.101","0.0459","","","0.1021","0.123","","","","","","0.943","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054505","15.903","0.0005","14.218","0.0005","19.6342","0.0005","90","","90","","90","","4439.5","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(isothiocyanato)-(N,N'-bis(5-nitro-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C20 H19 Fe N6 O6 S -","- C20 H19 Fe N6 O6 S -","- C160 H152 Fe8 N48 O48 S8 -","8","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0533","0.0383","","","0.091","0.0943","","","","","","1.052","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054697","11.463","0.001","8.9492","0.0008","14.7436","0.0013","90","","90","","90","","1512.5","0.2","293","2","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2'-(ethylenedioxy)bis-(ethylamine))zinc(II) tetracyanidonickelate(II)","","- C10 H16 N6 Ni O2 Zn -","- C10 H16 N6 Ni O2 Zn -","- C40 H64 N24 Ni4 O8 Zn4 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0439","0.0349","","","0.0823","0.0863","","","","","","1.069","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7055344","30.1303","0.0007","9.2069","0.0002","14.6698","0.0002","90","","90","","90","","4069.5","0.14","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H17 I2 N3 O Pt -","- C17 H17 I2 N3 O Pt -","- C136 H136 I16 N24 O8 Pt8 -","8","1","","Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy","New J. Chem.","2016","40","4","3164","","10.1039/C5NJ03104D","","","0.71073","MoKα","","0.0463","0.0316","","","0.076","0.0899","","","","","","1.134","","","","has coordinates","182771","2020-10-21","18:00:00",""
"7055418","7.3568","0.0017","27.672","0.006","12.434","0.003","90","","90","","90","","2531.3","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 F4 N O1.5 -","- C14 H10 F4 N O1.5 -","- C112 H80 F32 N8 O12 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0613","0.0574","","","0.1396","0.1425","","","","","","1.108","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055427","26.9156","0.0008","9.6838","0.0003","9.6832","0.0003","90","","90","","90","","2523.88","0.13","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.1226","0.0591","","","0.1514","0.1777","","","","","","1.053","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055573","11.55","0.0008","29.977","0.002","9.144","0.001","90","","90","","90","","3166","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H39 Cl3 Cu2 N2 O15 -","- C21 H35 Cl3 Cu2 N2 O15 -","- C84 H140 Cl12 Cu8 N8 O60 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.1017","0.077","","","0.2234","0.2468","","","","","","1.056","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055662","16.3977","0.0005","8.3891","0.0003","29.1772","0.0009","90","","90","","90","","4013.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)vinyl]pyridinium diperchlorate, hydrate","","- C16 H19.5 Cl2 N3 O10.25 -","- C16 H19 Cl2 N3 O10.25 -","- C128 H152 Cl16 N24 O82 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","1.54178","CuKα","","0.0841","0.0588","","","0.1064","0.1179","","","","","","1.035","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055690","24.8432","0.0019","10.1733","0.0009","13.1461","0.0011","90","","90","","90","","3322.5","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H36 N4 O8 Sn2 -","- C34 H36 N4 O8 Sn2 -","- C136 H144 N16 O32 Sn8 -","4","0.5","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0712","0.0362","","","0.0746","0.0896","","","","","","1.038","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055699","14.1499","0.001","16.6539","0.001","22.4487","0.0013","90","","90","","90","","5290.1","0.6","100","1","100","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H56 B2 Cu2 F8 N8 O -","- C59 H56 B2 Cu2 F8 N8 O -","- C236 H224 B8 Cu8 F32 N32 O4 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0755","0.0535","","","0.1569","0.1722","","","","","","1.271","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055770","13.948","0.002","11.4011","0.0019","43.494","0.007","90","","90","","90","","6916.5","1.9","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","HbimcaEt2HBF4","3,6-Di-tert-butyl-1,8-bis(3-ethylimidazolium)carbazole bis(tetrafluoroborate)","","- C32 H43 B2 F8 N5 O0.74 -","- C32 H43 B2 F8 N5 O0.743 -","- C256 H344 B16 F64 N40 O5.944 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1001","0.0666","","","0.1577","0.1797","","","","","","1.082","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055781","12.474","0.0004","25.8954","0.0008","8.5646","0.0002","90","","90","","90","","2766.53","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu2 N4 O8 -","- C30 H24 Cu2 N4 O8 -","- C120 H96 Cu8 N16 O32 -","4","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0473","0.04","","","0.1122","0.1177","","","","","","1.043","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055823","7.817","0.00019","13.0929","0.0004","30.6293","0.0009","90","","90","","90","","3134.82","0.15","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 I2 N6 O6 Zn -","- C28 H30 I2 N6 O6 Zn -","- C112 H120 I8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0533","0.0382","","","0.0909","0.1007","","","","","","1.024","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055824","7.67182","0.00017","12.9965","0.0003","30.545","0.0008","90","","90","","90","","3045.54","0.13","122","30","122","30","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Br2 N6 O6 Zn -","- C28 H30 Br2 N6 O6 Zn -","- C112 H120 Br8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0423","0.0294","","","0.0667","0.0726","","","","","","1.026","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055971","24.125","0.003","8.0141","0.001","10.8158","0.0011","90","","90","","90","","2091.1","0.4","168","2","168","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H16 N18 O10 -","- C8 H16 N18 O10 -","- C32 H64 N72 O40 -","4","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.1018","0.0415","","","0.0846","0.1026","","","","","","1.016","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055976","23.654","0.006","8.738","0.002","8.595","0.002","90","","90","","90","","1776.5","0.7","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H16 Br2 Cl3 Fe N4 O -","- C10 H16 Br2 Cl3 Fe N4 O -","- C40 H64 Br8 Cl12 Fe4 N16 O4 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0448","0.031","","","0.082","0.0889","","","","","","1.066","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7056030","8.2607","0.0015","14.168","0.003","27.7","0.005","90","","90","","90","","3241.9","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C144 H128 N16 O40 -","8","1","","Wang, Ning; Yang, Jin-Chuang; Chen, Li-Dong; Li, Jia; An, Yue; Lü, Cheng-Wei; Tian, Yun-Qi","Efficient synthesis of diethyl benzo[c]cinoline-3,8-dicarboxylate for fluorescence quenching materials","New J. Chem.","2017","41","7","2786","","10.1039/C6NJ03989H","","","0.71073","MoKα","","0.1385","0.0651","","","0.1498","0.1885","","","","","","1.032","","","","has coordinates,has disorder","195159","2020-10-21","18:00:00",""
"7056207","37.3694","0.0012","10.3766","0.0003","15.8615","0.0005","90","","90","","90","","6150.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C176 H240 Cl32 F16 N64 P32 -","8","1","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","","","","","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0835","0.0482","","","0.0872","0.0984","","","","","","1.038","","","","has coordinates","196820","2020-10-21","18:00:00",""
"7056268","24.182","0.002","17.718","0.001","17.929","0.001","90","","90","","90","","7681.8","0.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C120 H60 Cl4 N2 -","- C120 H60 Cl3.9994 N2 -","- C480 H240 Cl15.9976 N8 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene C60 dianion salt, (Me4N+)2(C602−)·(TPC)2·2C6H4Cl2, where TPC is triptycene, obtained by a multicomponent approach","New J. Chem.","2017","","","","","10.1039/C7NJ01096F","","","0.895","synchrotron","","0.1939","0.1289","","","0.3256","0.36","","","","","","1.013","","","","has coordinates,has disorder","197064","2020-10-21","18:00:00",""
"7056376","28.016","0.0014","8.6148","0.0005","20.3292","0.001","90","","90","","90","","4906.5","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H17 Cl3 N4 O2 Ru -","- C21 H17 Cl3 N4 O2 Ru -","- C168 H136 Cl24 N32 O16 Ru8 -","8","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0761","0.0386","","","0.0715","0.0844","","","","","","0.993","","","","has coordinates","198274","2020-10-21","18:00:00",""
"7056442","15.1068","0.0006","9.9563","0.0005","17.5608","0.0012","90","","90","","90","","2641.3","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H32 Co N6 O7 -","- C20 H34 Co N6 O9 -","- C80 H136 Co4 N24 O36 -","4","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.17","0.0791","","","0.2068","0.2958","","","","","","1.118","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056548","22.702","0.005","7.53","0.005","29.233","0.005","90","","90","","90","","4997","4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 Ce O12.5 -","- C23 H15 Ce O8 -","- C184 H120 Ce8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.1001","0.0453","","","0.089","0.1177","","","","","","0.987","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056549","22.645","0.003","7.6075","0.001","29.26","0.004","90","","90","","90","","5040.7","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 La O12.5 -","- C23 H15 La O8 -","- C184 H120 La8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71073","MoKα","","0.1289","0.0546","","","0.1123","0.1452","","","","","","0.97","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056743","8.109","0.004","14.882","0.006","7.304","0.004","90","","90","","90","","881.4","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H6 N6 Ni S2 -","- C4 H6 N6 Ni S2 -","- C16 H24 N24 Ni4 S8 -","4","0.5","","Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.","Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies","New Journal of Chemistry","2017","","","","","10.1039/C7NJ01030C","","","0.71073","MoKα","","0.0802","0.0435","","","0.0753","0.0864","","","","","","1.117","","","","has coordinates","203106","2020-10-21","18:00:00",""
"7056849","16.9402","0.001","12.8694","0.0008","21.046","0.0013","90","","90","","90","","4588.2","0.5","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H40 Cl2 N10 O22 Zn2 -","- C36 H39.976 Cl2 N10 O21.976 Zn2 -","- C144 H159.904 Cl8 N40 O87.904 Zn8 -","4","0.5","","Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.","Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity","New Journal of Chemistry","2018","42","3","2204","","10.1039/C7NJ03759G","","","0.71073","MoKα","","0.0766","0.0553","","","0.1662","0.1786","","","","","","1.069","","","","has coordinates,has disorder","230562","2020-10-21","18:00:00",""
"7056866","5.1221","0.0001","17.608","0.0002","22.7903","0.0003","90","","90","","90","","2055.46","0.05","285","1","285","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H10 F3 I3 -","- C22 H10 F3 I3 -","- C88 H40 F12 I12 -","4","0.5","","Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun","Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes","New Journal of Chemistry","2018","42","13","10633","","10.1039/C7NJ04536K","","x-ray","1.54184","CuKα","","0.0542","0.0511","","","0.1382","0.1425","","","","","","1.072","","","","has coordinates","230374","2020-10-21","18:00:00",""
"7056932","11.5086","0.0003","13.443","0.0004","11.8588","0.0003","90","","90","","90","","1834.68","0.09","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H8 Ag F3 N8 O3 S -","- C13 H8 Ag F3 N8 O3 S -","- C52 H32 Ag4 F12 N32 O12 S4 -","4","0.5","","Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa","Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination","New Journal of Chemistry","2018","42","5","3363","","10.1039/C7NJ03763E","","","0.71073","MoKα","","0.0281","0.0205","","","0.0492","0.0531","","","","","","1.031","","","","has coordinates","230267","2020-10-21","18:00:00",""
"7057062","14.752","0.0005","8.8836","0.0004","16.476","0.0005","90","","90","","90","","2159.19","0.14","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Li2 Mg N6 O10 -","- C16 H18 Li2 Mg N6 O10 -","- C64 H72 Li8 Mg4 N24 O40 -","4","0.5","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0568","0.0399","","","0.0914","0.1007","","","","","","1.008","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057063","14.7495","0.0019","8.881","0.001","16.4433","0.0017","90","","90","","90","","2153.9","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H9 Co0.14 Li Mg0.36 N3 O5 -","- C8 H9 Co0.1425 Li Mg0.3575 N3 O5 -","- C64 H72 Co1.14 Li8 Mg2.86 N24 O40 -","8","1","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.1008","0.0555","","","0.1153","0.1386","","","","","","1.01","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057064","14.7194","0.0007","8.8624","0.0004","16.4634","0.0008","90","","90","","90","","2147.64","0.18","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H9 Co0.29 Li Mg0.21 N3 O5 -","- C8 H9 Co0.2875 Li Mg0.2125 N3 O5 -","- C64 H72 Co2.3 Li8 Mg1.7 N24 O40 -","8","1","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0899","0.0472","","","0.0782","0.0926","","","","","","1.009","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057065","14.7458","0.0004","8.8756","0.0003","16.4841","0.0006","90","","90","","90","","2157.4","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Co Li2 N6 O10 -","- C16 H18 Co Li2 N6 O10 -","- C64 H72 Co4 Li8 N24 O40 -","4","0.5","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0435","0.0321","","","0.0808","0.0893","","","","","","1.007","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057097","11.0353","0.0007","14.276","0.0009","14.2688","0.0009","90","","90","","90","","2247.9","0.2","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-iodoethynylpyridine","","- C21 H12 I3 N3 -","- C21 H12 I3 N3 -","- C84 H48 I12 N12 -","4","0.5","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.1234","0.1183","","","0.2951","0.297","","","","","","1.094","","","","has coordinates,has disorder","230377","2020-10-21","18:00:00",""
"7057134","11.971","0.0003","17.2506","0.0004","32.9419","0.0007","90","","90","","90","","6802.7","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H68 Cl N13 Ni4 O22 -","- C58 H68 Cl N13 Ni4 O22 -","- C232 H272 Cl4 N52 Ni16 O88 -","4","0.5","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.1331","0.0618","","","0.155","0.1936","","","","","","1.019","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057147","8.688","0.0004","14.6001","0.0006","23.4501","0.0011","90","","90","","90","","2974.5","0.2","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 N4 O4 Zn -","- C28 H24 N4 O4 Zn -","- C112 H96 N16 O16 Zn4 -","4","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.1037","0.0805","","","0.2273","0.2496","","","","","","1.063","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057149","8.7112","0.0007","14.5251","0.0018","23.5166","0.0018","90","","90","","90","","2975.6","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Co N4 O4 -","- C28 H24 Co N4 O4 -","- C112 H96 Co4 N16 O16 -","4","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.1512","0.1377","","","0.3542","0.3638","","","","","","1.2","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057175","21.755","0.004","11.303","0.002","16.615","0.003","90","","90","","90","","4085.6","1.3","273.5","","273.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","M201NH","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","1","","Kaewnok, Nirawit; Petdum, Anuwut; Sirirak, Jitnapa; Charoenpanich, Adisri; Panchan, Waraporn; Sahasithiwat, Somboon; Sooksimuang, Thanasat; Wanichacheva, Nantanit","Novel Cu2±specific “Turn-ON” fluorescent probe based on [5]helicene with very large Stokes shift and its potential application in living cells","New Journal of Chemistry","2018","42","7","5540","","10.1039/C7NJ05176J","","","1.54178","CuKα","","0.054","0.0429","","","0.1144","0.1234","","","","","","1.0462","","","","has coordinates","230421","2020-10-21","18:00:00",""
"7057212","14.107","0.003","23.359","0.004","42.774","0.008","90","","90","","90","","14095","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C129 H154 N4 O26 -","- C129 H154 N4 O26 -","- C516 H616 N16 O104 -","4","0.5","","Jiang, Shuo; Han, Ying; Cheng, Ming; Sun, Jing; Yan, Chao-Guo; Jiang, Juli; Wang, Leyong","Self-locked dipillar[5]arene-based pseudo[1]rotaxanes and bispseudo[1]rotaxanes with different lengths of bridging chains","New Journal of Chemistry","2018","42","10","7603","","10.1039/C7NJ05192A","","","0.71073","MoKα","","0.3296","0.1801","","","0.4347","0.479","","","","","","1.167","","","","has coordinates","230192","2020-10-21","18:00:00",""
"7057408","27.808","0.003","17.183","0.002","21.075","0.002","90","","90","","90","","10070.2","1.9","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H66 Br2 O5 -","- C51 H66 Br2 O5 -","- C408 H528 Br16 O40 -","8","1","","An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo","2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions","New Journal of Chemistry","2018","42","13","10689","","10.1039/C8NJ01284A","","","0.71073","MoKα","","0.1222","0.0538","","","0.1255","0.1546","","","","","","1.024","","","","has coordinates,has disorder","230388","2020-10-21","18:00:00",""
"7058199","11.1071","0.0006","8.2385","0.0004","19.1755","0.0009","90","","90","","90","","1754.67","0.15","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10.5 H8 Cl O -","- C10.5 H8 Cl O -","- C84 H64 Cl8 O8 -","8","1","","Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao","SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents","New Journal of Chemistry","2019","43","12","4669","","10.1039/C8NJ06444J","","","1.54178","CuKα","","0.082","0.0729","","","0.1888","0.2022","","","","","","1.121","","","","has coordinates","225000","2020-10-21","18:00:00",""
"7058344","16.1278","0.0008","12.2682","0.0005","12.5817","0.0006","90","","90","","90","","2489.4","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14.67 H24 Cl1.33 N2.67 O0.67 -","- C14.6667 H24 Cl1.33333 N2.66667 O0.666667 -","- C88 H144 Cl8 N16 O4 -","6","0.75","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0508","0.0375","","","0.1212","0.1319","","","","","","1.025","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058519","25.0164","0.0018","15.6581","0.0011","14.4095","0.0011","90","","90","","90","","5644.3","0.7","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C27 H24 Cl2 F3 N5 O3 Ru -","- C27 H24 Cl2 F3 N5 O3 Ru -","- C216 H192 Cl16 F24 N40 O24 Ru8 -","8","1","","Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle","Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands","New Journal of Chemistry","2019","43","28","11241","","10.1039/C9NJ02398D","","","0.71073","MoKα","","0.1138","0.0812","","","0.2006","0.226","","","","","","1.076","","","","has coordinates,has disorder","224681","2020-10-21","18:00:00",""
"7058576","10.205","0.009","6.629","0.006","12.045","0.011","90","","90","","90","","814.8","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","K2B4O5(OH)4","","","- B4 H4 K2 O9 -","- B4 H4 K2 O9 -","- B16 H16 K8 O36 -","4","0.5","","Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks","New Journal of Chemistry","2019","43","29","11660","","10.1039/C9NJ02543J","","","0.71073","MoKα","","0.0511","0.0376","","","0.0847","0.0906","","","","","","1.041","","","","has coordinates","224669","2020-10-21","18:00:00",""
"7058810","12.065","0.003","8.649","0.002","16.45","0.004","90","","90","","90","","1716.6","0.7","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H10 F6 O2 S2 -","- C17 H10 F6 O2 S2 -","- C68 H40 F24 O8 S8 -","4","0.5","","Fu, Qiu-Ting; Yan, Xiaodong; Li, Tao; Zhang, Xin-Yue; He, Yue; Zhang, Wen-Da; Liu, Yong; Li, Yunxing; Gu, Zhi-Guo","Diarylethene-based conjugated polymer networks for ultrafast photochromic films","New Journal of Chemistry","2019","43","39","15797","","10.1039/C9NJ02596K","","","0.71073","MoKα","","0.062","0.0352","","","0.072","0.0823","","","","","","1.034","","","","has coordinates,has disorder","224784","2020-10-21","18:00:00",""
"7058821","22.8829","0.0013","11.7447","0.0007","16.8444","0.0009","90","","90","","90","","4527","0.4","298","","298","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H24 F6 N8 O6 Re6 S10 -","- C18 H24 F6 N8 O6 Re6 S10 -","- C72 H96 F24 N32 O24 Re24 S40 -","4","0.5","","Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.","Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands","New Journal of Chemistry","2019","43","41","16338","","10.1039/C9NJ02971K","","","0.71073","MoKα","","0.0837","0.0678","","","0.1559","0.1653","","","","","","1.241","","","","has coordinates","224734","2020-10-21","18:00:00",""
"7058885","22.602","0.002","15.0955","0.0014","15.1623","0.0015","90","","90","","90","","5173.2","0.8","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C42 H65 Au2 Br3.88 Cl2.12 N5 O2 P2 -","- C42 H65 Au2 Br3.892 Cl2.108 N5 O2 P2 -","- C168 H260 Au8 Br15.568 Cl8.432 N20 O8 P8 -","4","0.5","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","","0.71073","MoKα","","0.0532","0.0327","","","0.056","0.0608","","","","","","1.027","","","","has coordinates,has disorder","219236","2020-10-21","18:00:00",""
"7059075","11.4021","0.0003","8.2603","0.0002","17.7971","0.0005","90","","90","","90","","1676.22","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H14 Co N4 O2 S2 -","- C14 H14 Co N4 O2 S2 -","- C56 H56 Co4 N16 O8 S8 -","4","0.5","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0314","0.0242","","","0.0579","0.0617","","","","","","1.041","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059234","13.3801","0.0005","12.1406","0.0003","36.1701","0.0007","90","","90","","90","","5875.6","0.3","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56 H66 Fe4 N4 O6 Pb S6 -","- C56 H66 Fe4 N4 O6 Pb S6 -","- C224 H264 Fe16 N16 O24 Pb4 S24 -","4","0.5","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","x-ray","0.71073","MoKα","","0.0645","0.0435","","","0.0846","0.0937","","","","","","1.047","","","","has coordinates","257699","2020-10-21","18:00:00",""
"7059404","7.881","0.0008","8.6992","0.0009","13.7382","0.0015","90","","90","","90","","941.87","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Cs Mg2 O10 P3 -","- Cs Mg2 O10 P3 -","- Cs4 Mg8 O40 P12 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0277","0.0253","","","0.0643","0.0664","","","","","","1.074","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059473","11.9421","0.0006","7.2245","0.0004","24.8025","0.0011","90","","90","","90","","2139.85","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H5 Br N2 S Te -","- C10 H5 Br N2 S Te -","- C80 H40 Br8 N16 S8 Te8 -","8","1","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0346","0.0253","","","0.0485","0.0516","","","","","","1.038","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059561","23.392","0.004","11.662","0.002","27.06","0.005","90","","90","","90","","7382","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H54 N10 O15 Zn2 -","- C64 H54 N10 O15 Zn2 -","- C256 H216 N40 O60 Zn8 -","4","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.1755","0.0975","","","0.2779","0.3464","","","","","","1.183","","","","has coordinates,has disorder","257864","2020-10-21","18:00:00",""
"7059652","12.0157","0.0013","18.1093","0.0019","18.99","0.002","90","","90","","90","","4132.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H31 N11 O10 Zn2 -","- C42 H31 N11 O10 Zn2 -","- C168 H124 N44 O40 Zn8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Pan, Chen-Dong; Zhang, Chen; Fan, Liming","Selective fluorescence sensing properties of a novel two-fold interpenetrating coordination polymer","New Journal of Chemistry","2020","44","22","9411","9418","10.1039/D0NJ01750G","","","0.71073","MoKα","","0.0718","0.047","","","0.1281","0.1394","","","","","","0.996","","","","has coordinates","257668","2020-10-21","18:00:00",""
"7059684","19.235","0.003","7.0992","0.0011","21.796","0.003","90","","90","","90","","2976.3","0.8","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 N2 -","- C9 H18 B10 N2 -","- C72 H144 B80 N16 -","8","1","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.1359","0.058","","","0.1202","0.1561","","","","","","1.003","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059758","12.008","0.003","14.404","0.002","14.372","0.003","90","","90","","90","","2485.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H20 Cd N6 O5 S2 -","- C19 H20 Cd N6 O5 S2 -","- C76 H80 Cd4 N24 O20 S8 -","4","0.5","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.","Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+","New Journal of Chemistry","2020","44","27","11841","11852","10.1039/D0NJ02595J","","","0.71073","MoKα","","0.0895","0.0744","","","0.1759","0.1858","","","","","","1.187","","","","has coordinates,has disorder","257676","2020-10-21","18:00:00",""
"7059955","18.433","0.003","10.1869","0.0016","15.329","0.003","90","","90","","90","","2878.4","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C17 H14 Fe N2 O3 -","- C17 H14 Fe N2 O3 -","- C136 H112 Fe8 N16 O24 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0474","0.0353","","","0.0899","0.0975","","","","","","0.964","","","","has coordinates","258891","2020-11-06","12:41:56",""
"7060155","19.0333","0.0014","9.0499","0.0007","23.067","0.002","90","","90","","90","","3973.3","0.5","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H42 Dy2 N4 O16 -","- C36 H42 Dy2 N4 O16 -","- C144 H168 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0572","0.0488","","","0.1522","0.1574","","","","","","1.212","","","","has coordinates","259919","2020-12-16","04:18:54",""
"7060191","17.8187","0.0003","17.3288","0.0002","16.6003","0.0003","90","","90","","90","","5125.79","0.14","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H56 Al2 I4 N6 -","- C37 H56 Al2 I4 N6 -","- C148 H224 Al8 I16 N24 -","4","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.39222","CuKβ","","0.0269","0.0256","","","0.0668","0.0678","","","","","","1.052","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060424","19.6157","0.0008","15.3792","0.0006","28.243","0.0009","90","","90","","90","","8520.2","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H72 Co6 N32 O12 -","- C64 H72 Co6 N32 O12 -","- C256 H288 Co24 N128 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","1.54184","CuKα","","0.0894","0.0546","","","0.1453","0.1702","","","","","","1.028","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7061194","11.89","0.002","16.7","0.003","11.228","0.002","90","","90","","90","","2229.5","0.7","153","2","153.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C3 H10 Mg N8 O6 -","- C3 H10 Mg N8 O6 -","- C24 H80 Mg8 N64 O48 -","8","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0687","0.0589","","","0.1288","0.1363","","","","","","1.116","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061225","12.5438","0.0009","14.9504","0.0011","9.298","0.0007","90","","90","","90","","1743.7","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-bis(2-chloro-6-methylphenyl)thiazolo[5,4-d]thiazole","","- C9 H6 Cl N S -","- C9 H6 Cl N S -","- C72 H48 Cl8 N8 S8 -","8","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.1059","0.087","","","0.2478","0.2688","","","","","","1.053","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061229","12.4146","0.0011","14.9366","0.0011","9.6752","0.0008","90","","90","","90","","1794.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-bis(2,6-dibromophenyl)thiazolo[5,4-d]thiazole","","- C8 H3 Br2 N S -","- C8 H3 Br2 N S -","- C64 H24 Br16 N8 S8 -","8","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0846","0.0402","","","0.0744","0.0872","","","","","","1.001","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061231","23.4333","0.0005","11.7042","0.0003","14.6428","0.0004","90","","90","","90","","4016.05","0.17","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H40 N8 O4 Pd2 S2 -","- C40 H40 N8 O4 Pd2 S2 -","- C160 H160 N32 O16 Pd8 S8 -","4","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","1.54184","CuKα","","0.0367","0.0329","","","0.0828","0.0866","","","","","","1.09","","","","has coordinates","273389","2022-03-04","22:19:25",""
"7061232","23.367","0.006","11.818","0.003","14.969","0.004","90","","90","","90","","4133.7","1.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H42 N6 O4 Pd2 S2 -","- C42 H42 N6 O4 Pd2 S2 -","- C168 H168 N24 O16 Pd8 S8 -","4","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.1129","0.0767","","","0.2274","0.2893","","","","","","1.055","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061278","12.0648","0.0005","17.3104","0.0007","13.4411","0.0005","90","","90","","90","","2807.13","0.19","149.99","0.1","150.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H30 Cd2 N4 O15 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","0.5","","Zhang, Hongbi; Liu, Xueguang; Shao, Yongliang; Liu, Wei; Liu, Weisheng","Study on the synthesis and host–guest luminescence properties of a novel Cd(ii)-picolinate coordination polymer","New Journal of Chemistry","2022","46","9","4257","4261","10.1039/D1NJ05048F","","","0.71073","MoKα","","0.0393","0.0288","","","0.074","0.0767","","","","","","1.103","","","","has coordinates","273408","2022-03-04","22:22:02",""
"7061365","14.3608","0.0004","20.9814","0.0006","30.9223","0.0009","90","","90","","90","","9317.2","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H88 Dy4 N6 O23 -","- C90 H82 Dy4 N6 O20 -","- C360 H328 Dy16 N24 O80 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0456","0.0309","","","0.0648","0.0724","","","","","","1.212","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061513","46.389","0.0018","9.2469","0.0006","15.7793","0.0009","90","","90","","90","","6768.6","0.6","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H49 Cl N6 O3 -","- C31 H49 Cl N6 O3 -","- C248 H392 Cl8 N48 O24 -","8","1","","Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan","Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking","New Journal of Chemistry","2022","46","22","10628","10636","10.1039/D2NJ00561A","","","0.71073","MoKα","","0.2003","0.0653","","","0.1336","0.189","","","","","","0.954","","","","has coordinates,has disorder","276649","2022-07-06","08:22:35",""
"7061520","8.3469","0.0005","15.7421","0.0007","22.5116","0.0009","90","","90","","90","","2958","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H30 B2 Fe N20 O3 -","- C18 H30 B2 Fe N20 O3 -","- C72 H120 B8 Fe4 N80 O12 -","4","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.089","0.0537","","","0.0945","0.1082","","","","","","1.053","","","","has coordinates,has disorder","276636","2022-07-06","08:18:52",""
"7061528","32.278","0.006","11.396","0.002","12.247","0.002","90","","90","","90","","4504.9","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl N O6 -","- C26 H22 Cl N O6 -","- C208 H176 Cl8 N8 O48 -","8","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.1084","0.077","","","0.1764","0.187","","","","","","1.037","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061584","25.473","0.006","11.826","0.003","16.454","0.004","90","","90","","90","","4957","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cl6 N8 O2 Zn4 -","- C45 H44 Cl6 N8 O2 Zn4 -","- C180 H176 Cl24 N32 O8 Zn16 -","4","0.5","","Naskar, Barnali; Das Mukhopadhyay, Chitrangada; Goswami, Sanchita","A new diformyl phenol based chemosensor selectively detects Zn2+ and Co2+ in the nanomolar range in 100% aqueous medium and HCT live cells","New Journal of Chemistry","2022","46","24","11946","11955","10.1039/D2NJ01478E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1536","0.178","","","","","","0.961","","","","has coordinates","276644","2022-07-06","08:21:27",""
"7061697","22.384","0.003","14.7774","0.0016","14.2404","0.0015","90","","90","","90","","4710.4","1","249","2","249","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H44 Cd2 Fe2 I4 N4 O9 -","- C40 H44 Cd2 Fe2 I4 N4 O9 -","- C160 H176 Cd8 Fe8 I16 N16 O36 -","4","0.5","","Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi","Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand","New Journal of Chemistry","2022","46","35","16730","16742","10.1039/D2NJ03357G","","","0.71073","MoKα","","0.0523","0.0423","","","0.112","0.125","","","","","","0.994","","","","has coordinates","278462","2022-10-07","01:13:12",""
"7061750","28.4221","0.0009","5.9548","0.0002","25.7279","0.0009","90","","90","","90","","4354.4","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H10 Cl2 N8 O8 -","- C5 H10 Cl2 N8 O8 -","- C60 H120 Cl24 N96 O96 -","12","1.5","","Gribov, Pavel S.; Suponitsky, Kyrill Yu.; Sheremetev, Aleksei B.","Efficient synthesis of N-(chloromethyl)nitramines via TiCl4-catalyzed chlorodeacetoxylation","New Journal of Chemistry","2022","46","36","17548","17553","10.1039/D2NJ03521A","","","0.71073","MoKα","","0.0721","0.0569","","","0.0973","0.1029","","","","","","1.192","","","","has coordinates","278451","2022-10-07","01:09:18",""
"7061765","21.0124","0.0011","23.775","0.0011","12.1359","0.0008","90","","90","","90","","6062.7","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C68 H62 Cu2 O4 P4 S2 -","- C68 H62 Cu2 O4 P4 S2 -","- C272 H248 Cu8 O16 P16 S8 -","4","0.5","","Kumar, Krishna; Tiwari, Priyanka; Kant, Rajni; Bhattacharya, Subrato","Synthesis and structural studies of Cu(i) methylthiosalicylate complexes and their catalytic application in thiol-yne click reaction","New Journal of Chemistry","2022","46","37","17854","17864","10.1039/D2NJ02722D","","","0.71073","MoKα","","0.0615","0.0408","","","0.0781","0.0886","","","","","","1.053","","","","has coordinates","278438","2022-10-07","01:04:57",""
"7061896","28.11","0.003","10.0413","0.0009","8.0483","0.0006","90","","90","","90","","2271.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C88 H96 Cl8 N24 O8 -","8","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","1.54184","CuKα","","0.1716","0.109","","","0.2916","0.3453","","","","","","1.128","","","","has coordinates","279021","2022-11-07","05:43:20",""
"7062248","19.8134","0.0008","22.6439","0.0008","17.0123","0.0005","90","","90","","90","","7632.6","0.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H92 Li N8 Nd O6 S4 Si2 -","- C80 H92 Li N8 Nd O6 S4 Si2 -","- C320 H368 Li4 N32 Nd4 O24 S16 Si8 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0556","0.0369","","","0.0835","0.0952","","","","","","1.028","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062251","19.5493","0.0007","22.503","0.0007","17.3269","0.0006","90","","90","","90","","7622.4","0.4","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H92 Li N8 O6 S4 Si2 Y -","- C80 H92 Li N8 O6 S4 Si2 Y -","- C320 H368 Li4 N32 O24 S16 Si8 Y4 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0731","0.0423","","","0.098","0.1155","","","","","","1.017","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062297","39.6854","0.0008","12.6155","0.0002","7.4106","0.0002","90","","90","","90","","3710.13","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H41.64 N7 O10.32 V2 -","- C31 H41.64 N7 O10.32 V2 -","- C124 H166.56 N28 O41.28 V8 -","4","0.5","","Soltani, Fatemeh; Bikas, Rahman; Heydari, Neda; Kozakiewicz-Piekarz, Anna","Dinuclear oxidovanadium complexes with dihydrazone ligands derived from diethyl 2,6-dimethylpyridine-3,5-dicarboxylate obtained from Hantzsch reaction; crystal structure and catalytic activity","New Journal of Chemistry","2023","47","13","6102","6113","10.1039/D2NJ06279H","","","1.54184","CuKα","","0.0732","0.0696","","","0.1805","0.1822","","","","","","1.198","","","","has coordinates,has disorder","283394","2023-05-05","02:57:54",""
"7062361","25.0891","0.0006","9.7366","0.0002","9.1903","0.0002","90","","90","","90","","2245.03","0.09","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H6 Br2 O3 S2 -","- C8 H6 Br2 O3 S2 -","- C64 H48 Br16 O24 S16 -","8","1","","Youssef, Khaled; Allain, Magali; Cauchy, Thomas; Gohier, Frédéric","Dimerization reactions with oxidized brominated thiophenes","New Journal of Chemistry","2023","47","15","7375","7380","10.1039/D3NJ00029J","","","1.54184","CuKα","","0.034","0.0307","","","0.0782","0.0807","","","","","","1.04","","","","has coordinates","283412","2023-05-05","03:05:26",""
"7062418","25.8268","0.0011","16.275","0.0007","10.0472","0.0005","90","","90","","90","","4223.2","0.3","284","","284","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H36 Cl2 N4 O11 S2 -","- C38 H34 N4 O11 S2 -","- C152 H136 N16 O44 S8 -","4","0.5","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.0934","0.0579","","","0.1543","0.1784","","","","","","1.067","","","","has coordinates","284296","2023-06-05","04:44:32",""
"7062688","7.0395","0.0002","10.9134","0.0004","10.0979","0.0004","90","","90","","90","","775.77","0.05","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F2 Mg2 O7 Pb2 Si2 -","- F2 Mg2 O7 Pb2 Si2 -","- F8 Mg8 O28 Pb8 Si8 -","4","0.5","","Zhang, Zhiyuan; Deng, Lihan; Xu, Die; Hu, Mei; Wu, Zhencheng; Su, Xin; Huang, Yineng","Mg2Pb2Si2O7F2: a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge","New Journal of Chemistry","2023","47","37","17413","17419","10.1039/D3NJ03141A","","","0.71073","MoKα","","0.0232","0.0213","","","0.0486","0.05","","","","","","1.172","","","","has coordinates","286763","2023-10-06","00:29:17",""
"7062857","25.5231","0.0013","18.844","0.0005","12.4455","0.0003","90","","90","","90","","5985.8","0.4","292.9","0.8","292.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole","2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole","","- C70 H78 N4 S3 -","- C70 H78 N4 S3 -","- C280 H312 N16 S12 -","4","0.5","","Jang, Jae Gyu; Kim, Tae-hoon; Kim, Sung Hyun; Hong, Jong-In","Enhancing thermoelectric performance of single-walled carbon nanotube/reduced graphene oxide composites with small organic molecules as a novel additive","New Journal of Chemistry","2023","47","47","21692","21699","10.1039/D3NJ03568A","","x-ray","1.54184","CuKα","","0.0543","0.043","","","0.1091","0.1203","","","","","","1.036","","","","has coordinates,has disorder","288851","2024-01-06","08:58:10",""
"7062911","22.06","0.08","12.96","0.01","10.61","0.01","90","","90","","90","","3033","12","150","","150","","","","","","","","","3","P b c n","-P 2n 2ab","60","cerium oxalate hydrate","","","- C6 Ce2 O17 -","- C6 Ce2 O17 -","- C48 Ce16 O136 -","8","1","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.2121","0.1246","","","0.1182","0.129","","","","0","0","2.2291","","","","has coordinates","289601","2024-02-04","12:25:07",""
"7063270","7.9084","0.0014","10.8324","0.0019","9.4962","0.0017","90","","90","","90","","813.5","0.2","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C4 H4 Cd N10 -","- C4 H4 Cd N10 -","- C16 H16 Cd4 N40 -","4","0.5","","Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan","Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability","New Journal of Chemistry","2024","48","28","12697","12705","10.1039/D4NJ01652A","","","0.71073","MoKα","","0.0171","0.0163","","","0.039","0.0411","","","","","","1.1072","","","","has coordinates","293898","2024-08-05","19:46:52",""
"7063482","10.05","0.0002","9.42575","0.00016","9.12606","0.00018","90","","90","","90","","864.5","0.03","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C2 N6 O4 Rb2 -","- C2 N6 O4 Rb2 -","- C8 N24 O16 Rb8 -","4","0.5","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54184","CuKα","","0.0285","0.0278","","","0.0768","0.0774","","","","","","1.081","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7100049","11.01","0.002","11.706","0.002","9.4523","0.0019","90","","90","","90","","1218.2","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","04303","","","- C8 H22 Ga N3 -","- C8 H22 Ga N3 -","- C32 H88 Ga4 N12 -","4","0.5","","Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo","Mono- and digallane complexes of a tridentate amido-diamine ligand","Chemical Communications","2005","","","","","10.1039/b503705k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100173","17.252","0.004","8.9108","0.0018","20.212","0.004","90","","90","","90","","3107.1","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H46 Al B2 N4 -","- C28 H46 Al B2 N4 -","- C112 H184 Al4 B8 N16 -","4","0.5","","C. T; B. Rene; E. Dana; F. Chantall; S. Gabriele; T.Heikki M.","Stable Spirocyclic Neutral Radicals: Aluminum and Gallium Boraamidinates","Chemical Communications","2005","","","","","10.1039/b506253e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100174","17.173","0.003","8.9446","0.0018","20.337","0.004","90","","90","","90","","3123.8","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H46 B2 Ga N4 -","- C28 H46 B2 Ga N4 -","- C112 H184 B8 Ga4 N16 -","4","0.5","","C. T; B. Rene; E. Dana; F. Chantall; S. Gabriele; T. Heikki M.","Stable Spirocyclic Neutral Radicals: Aluminum and Gallium Boraamidinates","Chemical Communications","2005","","","","","10.1039/b506253e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100542","31.1325","0.0006","8.5333","0.0002","22.961","0.0004","90","","90","","90","","6099.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H31 N12 O2.5 S1.5 -","- C31 H31 N12 O2.5 S1.5 -","- C248 H248 N96 O20 S12 -","8","1","","Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener","Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles","Chemical Communications","2005","","","","","10.1039/b510118b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7100916","5.4011","0.0005","12.8974","0.0013","10.9478","0.0011","90","","90","","90","","762.63","0.13","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","dibromophloroglucinol","","","- C6 H4 Br2 O3 -","- C6 H4 Br2 O3 -","- C24 H16 Br8 O12 -","4","0.5","","A. Nangia; Binoy K. Saha","First example of ice-like boat water hexamer tape structure in a supramolecular organic host","Chemical Communications","2006","","","","","10.1039/b600348f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101401","14.261","0.001","6.462","0.001","17.607","0.001","90","","90","","90","","1622.6","0.3","198","2","198","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H20 Zr -","- C20 H20 Zr -","- C80 H80 Zr4 -","4","0.5","","Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr","Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds","Chemical Communications","2006","","37","","","10.1039/b607906g","","","0.71073","MoKα","","0.0339","0.0255","","","0.0702","0.0748","","","","","","1.013","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101436","11.369","0.002","15.909","0.003","25.86","0.005","90","","90","","90","","4677.3","1.5","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H82 N8 O4 Zn5 -","- C34 H82 N8 O4 Zn5 -","- C136 H328 N32 O16 Zn20 -","4","0.5","","Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana","First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds","Chemical Communications","2006","","38","","","10.1039/b608135e","","","0.71073","MoKα","","0.0931","0.0759","","","0.1533","0.1611","","","","","","1.195","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101734","13.791","0.0003","14.531","0.0002","15.053","0.0004","90","","90","","90","","3016.58","0.11","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9.5 H22 Cl3 Cu N3 -","- C9.5 H22 Cl3 Cu N3 -","- C76 H176 Cl24 Cu8 N24 -","8","1","","Steed, Jonathan W; Goeta, Andrés E; Lipkowski, Janusz; Swierczynski, Dariusz; Panteleon, Vicky; Handa, Sheetal","Templated crystal nucleation: mixed crystals of very different copper(II) N,N',N''-trimethyltriazacyclononane complexes.","Chemical communications (Cambridge, England)","2007","","8","813","815","10.1039/b614043b","","","0.7107","MoKα","","0.0403","0.0371","","","0.1008","0.1039","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101882","10.1051","0.0007","23.259","0.002","25.278","0.002","90","","90","","90","","5941.2","0.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Dihydroxy-1,1,1,3,3,5,5,5-octamethyl-2,4-bis(trimethylsilyl)- pentasilane","","- C14 H44 O2 Si7 -","- C14 H44 O2 Si7 -","- C112 H352 O16 Si56 -","8","1","","Krempner, Clemens; Ludwig, Ralf; Flemming, Anke; Miethchen, Ralf; Köckerling, Martin","Twisted oxygen-containing oligosilanes‒unprecedented examples of sigma-n mixed conjugated systems.","Chemical communications (Cambridge, England)","2007","","18","1810","1812","10.1039/b618438c","","","0.71073","MoKα","","0.073","0.0427","","","0.1186","0.1355","","","","","","1.014","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7101961","27.32","0.006","8.204","0.0016","15.373","0.003","90","","90","","90","","3445.7","1.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H11 I3 N7 Rh -","- C8 H11 I3 N7 Rh -","- C64 H88 I24 N56 Rh8 -","8","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Peris, Eduardo; Crabtree, Robert H","A planar chelating bitriazole N-heterocyclic carbene ligand and its rhodium(III) and dirhodium(II) complexes.","Chemical communications (Cambridge, England)","2007","","22","2267","2269","10.1039/b705246d","","","0.71073","MoKα","","0.0632","0.0345","","","0.0738","0.0805","","","","","","1.001","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7101996","33.882","0.012","8.511","0.003","19.052","0.007","90","","90","","90","","5494","3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","99185","","","- C19 H30 K N O10 S2 Ti -","- C19 H30 K N O10 S2 Ti -","- C152 H240 K8 N8 O80 S16 Ti8 -","8","1","","Jilek, Robert E; Tripepi, Giovanna; Urnezius, Eugenijus; Brennessel, William W; Young, Jr, Victor G; Ellis, John E","Zerovalent titanium-sulfur complexes. Novel dithiocarbamato derivatives of Ti(CO)6: [Ti(CO)4(S2CNR2)]-.","Chemical communications (Cambridge, England)","2007","","25","2639","2641","10.1039/b700808b","","","0.71073","MoKα","","0.0621","0.0388","","","0.0865","0.0931","","","","","","0.982","","","","has coordinates","180121","2020-10-21","18:00:00",""
"7102011","19.2068","0.0017","28.499","0.003","24.321","0.002","90","","90","","90","","13313","2","135","2","135","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H71 Cl3 Eu N21 O13 -","- C51 H69 Cl3 Eu N21 O13.369 -","- C408 H552 Cl24 Eu8 N168 O106.952 -","8","1","","Li, Yongjun; Huffman, John C; Flood, Amar H","Can terdentate 2,6-bis(1,2,3-triazol-4-yl)pyridines form stable coordination compounds?","Chemical communications (Cambridge, England)","2007","","26","2692","2694","10.1039/b703301j","","","0.71073","MoKα","","0.126","0.0638","","","0.1577","0.1915","","","","","","1.021","","","","has coordinates,has disorder","180122","2020-10-21","18:00:00",""
"7102920","22.0866","0.0014","10.9907","0.0007","17.4459","0.0011","90","","90","","90","","4234.9","0.5","90","2","90","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H67 Fe -","- C48 H67 Fe -","- C192 H268 Fe4 -","4","0.5","","Ni, Chengbao; Ellis, Bobby D; Fettinger, James C; Long, Gary J; Power, Philip P","Univalent transition metal complexes of arenes stabilized by a bulky terphenyl ligand: differences in the stability of Cr(I), Mn(I) or Fe(I) complexes.","Chemical communications (Cambridge, England)","2008","","8","1014","1016","10.1039/b715027j","","","0.71073","MoKα","","0.0961","0.0428","","","0.0953","0.1227","","","","","","0.998","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103160","10.8097","0.0007","32.184","0.002","19.7274","0.0014","90","","90","","90","","6863.2","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H16 B2 F8 Ir2 N4 O4 -","- C22 H16 B2 F8 Ir2 N4 O4 -","- C176 H128 B16 F64 Ir16 N32 O32 -","8","1","","Patra, Sanjib K; Rahaman, S M Wahidur; Majumdar, Moumita; Sinha, Arup; Bera, Jitendra K","A rare unsupported iridium(II) dimer, [IrCl2(CO)2]2.","Chemical communications (Cambridge, England)","2008","","22","2511","2513","10.1039/b803632b","","","0.71073","MoKα","","0.0585","0.0394","","","0.0843","0.09","","","","","","0.973","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103270","15.772","0.008","6.743","0.004","24.033","0.013","90","","90","","90","","2556","2","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","","Kang, Jun Yong; Bugarin, Alejandro; Connell, Brian T","Conversion of nitrosobenzenes to isoxazolidines: an efficient cascade process utilizing reactive nitrone intermediates.","Chemical communications (Cambridge, England)","2008","","30","3522","3524","10.1039/b806374e","","","0.71073","MoKα","","0.0804","0.0705","","","0.1715","0.187","","","","","","1.094","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103326","16.542","0.002","24.736","0.003","10.4427","0.0013","90","","90","","90","","4272.9","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H26 Cl2 Cu N2 O2 -","- C22.6667 H34.6667 Cl2.66667 Cu1.33333 N2.66667 O2.66667 -","- C136 H208 Cl16 Cu8 N16 O16 -","6","0.75","","Forgan, Ross S; Davidson, James E; Galbraith, Stuart G; Henderson, David K; Parsons, Simon; Tasker, Peter A; White, Fraser J","Transport of metal salts by zwitterionic ligands; simple but highly efficient salicylaldoxime extractants.","Chemical communications (Cambridge, England)","2008","","34","4049","4051","10.1039/b808696f","","","0.71073","MoKα","","0.067","0.0545","","","0.1319","0.1361","","","","","","0.968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103469","44.018","0.015","9.17","0.003","23.309","0.008","90","","90","","90","","9409","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H39 O3 P -","- C22 H39 O3 P -","- C352 H624 O48 P16 -","16","2","","Ionkin, Alex S; Marshall, William J; Fish, Brian M; Schiffhauer, Matthew F; McEwen, Charles N","A stable enol in small ring systems: clear differentiation between penta- and tri-valency of phosphorus atoms.","Chemical communications (Cambridge, England)","2008","","42","5432","5434","10.1039/b809877h","","","0.71073","MoKα","","0.1738","0.0818","","","0.1841","0.2359","","","","","","1.019","","","","has coordinates,has disorder","180137","2020-10-21","18:00:00",""
"7103523","20.883","0.002","13.9416","0.0007","11.3024","0.0009","90","","90","","90","","3290.7","0.4","213","","213","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H20 Cl2 F6 O4 Ru2 S2 -","- C30 H20 Cl2 F6 O4 Ru2 S2 -","- C120 H80 Cl8 F24 O16 Ru8 S8 -","4","0.5","","Motoyama, Keiko; Koike, Takashi; Akita, Munetaka","Remarkable switching behavior of bimodally stimuli-responsive photochromic dithienylethenes with redox-active organometallic attachments.","Chemical communications (Cambridge, England)","2008","","44","5812","5814","10.1039/b809318k","","","0.7107","MoKα","","0.0761","0.0623","","","0.2187","0.226","","","","","","1.678","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103527","14.2935","0.0011","24.0498","0.0019","28.334","0.002","90","","90","","90","","9740.1","1.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C100 H74 Cl2 Fe4 N24 O9 S4 -","- C100 H72 Cl2 Fe4 N24 O9 S4 -","- C400 H288 Cl8 Fe16 N96 O36 S16 -","4","0.5","","Zhao, Yonggang; Guo, Dong; Liu, Yang; He, Cheng; Duan, Chunying","A mixed-valence (Fe(II))(2)(Fe(III))(2) square for molecular expression of quantum cellular automata.","Chemical communications (Cambridge, England)","2008","","44","5725","5727","10.1039/b811061a","","","0.71073","MoKα","","0.11","0.0739","","","0.2221","0.243","","","","","","1.028","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103637","8.3253","0.0014","11.5995","0.0019","6.7148","0.0011","90","","90","","90","","648.44","0.19","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C3 H4 N O -","- C3 H4 N O -","- C24 H32 N8 O8 -","8","1","","Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D.","1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct","Chemical Communications (Cambridge, United Kingdom)","2003","","1","28","29","10.1039/b211519k","","","0.71073","MoKα","","0.0513","0.0358","","","0.0939","0.0998","","","","","","0.952","","","","has coordinates","209684","2020-10-21","18:00:00",""
"7103638","8.334","0.004","11.605","0.005","6.706","0.003","90","","90","","90","","648.5","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-dimethylimidazolium-2-carboxylate","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","0.5","","Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D.","1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct","Chemical Communications (Cambridge, United Kingdom)","2003","","1","28","29","10.1039/b211519k","","","0.71073","MoKα","","0.0322","0.0288","","","0.0795","0.0824","","","","","","1.097","","","","has coordinates","209684","2020-10-21","18:00:00",""
"7103736","16.068","0.0003","7.2471","0.0001","16.1949","0.0004","90","","90","","90","","1885.84","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H27 B N2 -","- C21 H27 B N2 -","- C84 H108 B4 N8 -","4","0.5","","J.A.C.Clyburne; A.J.Jennings; H.Jong; I.D.McKenzie; T.Ramnial","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b301416a","","","0.71073","MoKα","","0.0923","0.0682","","","0.1896","0.2056","","","","","","1.029","","","","has coordinates","180140","2020-10-21","18:00:00",""
"7103963","13.0112","0.001","13.8925","0.0011","22.1485","0.0018","90","","90","","90","","4003.5","0.5","91","2","91","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Et4N)2[Ni2(ArPSO)2]","","","- C42 H56 N4 Ni2 O4 S2 -","- C42 H56 N4 Ni2 O4 S2 -","- C168 H224 N16 Ni8 O16 S8 -","4","0.5","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Dioxygen activation by a dinuclear nickel thiolate complex: structural characterization of the ligand oxidized product","Chemical Communications (Cambridge, United Kingdom)","2003","","3","410","411","10.1039/b211395n","","","0.71073","MoKα","","0.0955","0.0467","","","0.1041","0.1286","","","","","","0.999","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7104377","22.128","0.005","8.5689","0.0018","27.299","0.006","90","","90","","90","","5176","2","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H44 B2 Cl4 Cu F4 N8 -","- C52 H40 B2 Cu F4 N8 -","- C208 H160 B8 Cu4 F16 N32 -","4","0.5","","Miao, Qing; Shin, Ji-Young; Patrick, Brian O; Dolphin, David","Self-assembly of oligomeric linear dipyrromethene metal complexes.","Chemical communications (Cambridge, England)","2009","34","18","2541","2543","10.1039/b820461f","","","0.71073","MoKα","","0.138","0.0542","","","0.1174","0.1361","","","","","","0.845","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104379","22.249","0.002","8.5705","0.0007","27.197","0.002","90","","90","","90","","5186.1","0.7","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H44 B2 Cl4 F4 N8 Ni -","- C54.002 H44.004 B2 Cl4.004 F4 N8 Ni -","- C216.008 H176.016 B8 Cl16.016 F16 N32 Ni4 -","4","0.5","","Miao, Qing; Shin, Ji-Young; Patrick, Brian O; Dolphin, David","Self-assembly of oligomeric linear dipyrromethene metal complexes.","Chemical communications (Cambridge, England)","2009","34","18","2541","2543","10.1039/b820461f","","","0.71069","MoKα","","0.1295","0.0719","","","0.1071","0.1214","","","","","","1.109","","","","has coordinates,has disorder","180146","2020-10-21","18:00:00",""
"7104556","20.479","0.005","11.794","0.003","12.66","0.003","90","","90","","90","","3057.8","1.3","293","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H24 N6 O Pt -","- C38 H24 N6 O Pt -","- C152 H96 N24 O4 Pt4 -","4","0.5","","Ni, Jun; Zhang, Li-Yi; Wen, Hui-Min; Chen, Zhong-Ning","Luminescence vapochromic properties of a platinum(II) complex with 5,5'-bis(trimethylsilylethynyl)-2,2'-bipyridine.","Chemical communications (Cambridge, England)","2009","34","25","3801","3803","10.1039/b901248f","","","0.71073","MoKα","","0.0559","0.0391","","","0.1005","0.1115","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104645","35.5933","0.001","20.8616","0.0006","22.2038","0.0006","90","","90","","90","","16487.1","0.8","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C69 H142 Cd4 Cl3 N31 O24 -","- C24 H16 Cd4 Cl3 N20 O4 -","- C192 H128 Cd32 Cl24 N160 O32 -","8","1","","Ouellette, Wayne; Zubieta, Jon","Solid state coordination chemistry of microporous metal-organic frameworks of the cadmium(ii)-4-pyridyltetrazolate family: the structural influences of chloride incorporation.","Chemical communications (Cambridge, England)","2009","34","30","4533","4535","10.1039/b907149k","","x-ray","0.71073","MoKα","","0.1104","0.09","","","0.2352","0.2463","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104699","16.3207","0.0007","19.5389","0.0009","17.188","0.0006","90","","90","","90","","5481.1","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","DiOEtCal4","","","- C32 H32 O4 -","- C32 H32 O4 -","- C256 H256 O32 -","8","1","","Kennedy, Stuart; Dalgarno, Scott J","Modulation of nanotube packing through the controlled self-assembly of tris-p-carboxylatocalix[4]arenes.","Chemical communications (Cambridge, England)","2009","34","35","5275","5277","10.1039/b909456c","","","0.71073","MoKα","","0.0679","0.0492","","","0.1208","0.1292","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104746","12.474","0.003","13.189","0.003","27.709","0.006","90","","90","","90","","4558.7","1.8","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H40 Ca Cl4 Co N4 O6 -","- C24 H36 Ca Cl4 Co N4 O6 -","- C96 H144 Ca4 Cl16 Co4 N16 O24 -","4","0.5","","Duriska, Martin B; Neville, Suzanne M; Batten, Stuart R","Variable length ligands: a new class of bridging ligands for supramolecular chemistry and crystal engineering.","Chemical communications (Cambridge, England)","2009","34","37","5579","5581","10.1039/b910994c","","","0.71073","MoKα","","0.1535","0.113","","","0.3024","0.3259","","","","","","1.068","","","","has coordinates,has disorder","180150","2020-10-21","18:00:00",""
"7104755","12.3259","0.0008","19.1534","0.0012","22.7301","0.0014","90","","90","","90","","5366.2","0.6","90","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C64 H74 Fe O4 -","- C64 H74 Fe O4 -","- C256 H296 Fe4 O16 -","4","0.5","","Ni, Chengbao; Power, Philip P","Insertion reactions of a two-coordinate iron diaryl with dioxygen and carbon monoxide.","Chemical communications (Cambridge, England)","2009","34","37","5543","5545","10.1039/b912312a","","","0.71073","MoKα","","0.0521","0.0358","","","0.0823","0.0899","","","","","","1.075","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7104886","17.1674","0.0008","23.2395","0.0011","10.6653","0.0004","90","","90","","90","","4255","0.3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H3 F4 N2 S2 -","- C8 H3 F4 N2 S2 -","- C128 H48 F64 N32 S32 -","16","2","","Clarke, Caroline S.; Haynes, Delia A.; Rawson, Jeremy M.; Bond, Andrew D.","Small molecule fixation by a dithiadiazolyl radical: X-ray crystal structures of (CF3C6H3FCNSSN)2and (CF3C6H3FCNSSN)2˙G (G = N2, Ar, CO2and SO2)","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2774","2775","10.1039/b307509p","","","0.7107","MoKα","","0.0888","0.0498","","","0.123","0.136","","","","","","0.945","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104887","17.1277","0.0007","23.2356","0.001","10.6532","0.0002","90","","90","","90","","4239.7","0.3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H3 F4 N2 S2 -","- C8 H3 F4 N2 S2 -","- C128 H48 F64 N32 S32 -","16","2","","Clarke, Caroline S.; Haynes, Delia A.; Rawson, Jeremy M.; Bond, Andrew D.","Small molecule fixation by a dithiadiazolyl radical: X-ray crystal structures of (CF3C6H3FCNSSN)2and (CF3C6H3FCNSSN)2˙G (G = N2, Ar, CO2and SO2)","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2774","2775","10.1039/b307509p","","","0.7107","MoKα","","0.0838","0.0518","","","0.1403","0.1538","","","","","","1.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104888","17.1483","0.0006","23.2411","0.0008","10.661","0.0002","90","","90","","90","","4248.9","0.2","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H3 F4 N2 S2 -","- C8 H3 F4 N2 S2 -","- C128 H48 F64 N32 S32 -","16","2","","Clarke, Caroline S.; Haynes, Delia A.; Rawson, Jeremy M.; Bond, Andrew D.","Small molecule fixation by a dithiadiazolyl radical: X-ray crystal structures of (CF3C6H3FCNSSN)2and (CF3C6H3FCNSSN)2˙G (G = N2, Ar, CO2and SO2)","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2774","2775","10.1039/b307509p","","","0.7107","MoKα","","0.0666","0.0483","","","0.1411","0.1504","","","","","","1.035","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104889","17.1333","0.0003","23.2358","0.0004","10.6538","0.0002","90","","90","","90","","4241.34","0.13","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H3 F4 N2 S2 -","- C8 H3 F4 N2 S2 -","- C128 H48 F64 N32 S32 -","16","2","","Clarke, Caroline S.; Haynes, Delia A.; Rawson, Jeremy M.; Bond, Andrew D.","Small molecule fixation by a dithiadiazolyl radical: X-ray crystal structures of (CF3C6H3FCNSSN)2and (CF3C6H3FCNSSN)2˙G (G = N2, Ar, CO2and SO2)","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2774","2775","10.1039/b307509p","","","0.7107","MoKα","","0.078","0.0519","","","0.1348","0.146","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7105108","32.166","0.002","9.8996","0.0007","16.4069","0.0011","90","","90","","90","","5224.4","0.6","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H60 N9 O4 -","- C60 H60 N9 O4 -","- C240 H240 N36 O16 -","4","0.5","","Savarimuthu Philip Anthony; Sunil Varughese; Sylvia M. Draper","Switching and tuning organic solid-state luminescence via a supramolecular approach","Chem. Commun.","2009","","","7500","7502","10.1039/b914027a","","","0.71073","MoKα","","0.0563","0.049","","","0.1398","0.1513","","","","","","1.036","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105172","24.4646","0.0019","15.2591","0.0011","33.563","0.003","90","","90","","90","","12529.3","1.6","150","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4","","","- C33 H24 O12 Zn -","- C33 H24 O12 Zn -","- C264 H192 O96 Zn8 -","8","1","","Kishan, Motkuri Radha; Tian, Jian; Thallapally, Praveen K; Fernandez, Carlos A; Dalgarno, Scott J; Warren, John E; McGrail, B Peter; Atwood, Jerry L","Flexible metal-organic supramolecular isomers for gas separation.","Chemical communications (Cambridge, England)","2010","46","4","538","540","10.1039/b913910a","","","0.7749","synchrotron","","0.069","0.0563","","","0.1725","0.1816","","","","","","1.001","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105224","21.7674","0.0009","8.3961","0.0004","20.4083","0.0009","90","","90","","90","","3729.8","0.3","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","H4L 2MeCN","","","- C44 H34 N6 O6 -","- C44 H34 N6 O6 -","- C176 H136 N24 O24 -","4","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Nabeshima, Tatsuya","Highly efficient regulation of cation recognition and promotion of self-assembly by metalation of a macrocyclic bis(N2O2) ligand with nickel(II).","Chemical communications (Cambridge, England)","2010","46","7","1029","1031","10.1039/b915722k","","","0.71069","MoKα","","0.0547","0.0488","","","0.1376","0.1425","","","","","","1.064","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105246","18.2423","0.0005","33.992","0.0009","24.7441","0.0006","90","","90","","90","","15343.6","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C184 H144 Cl14 -","- C184 H144 Cl14 -","- C736 H576 Cl56 -","4","0.5","","Vyas, Vijay S; Rathore, Rajendra","Preparation of a tetraphenylethylene-based emitter: synthesis, structure and optoelectronic properties of tetrakis(pentaphenylphenyl)ethylene.","Chemical communications (Cambridge, England)","2010","46","7","1065","1067","10.1039/b923915d","","","1.54178","CuKα","","0.0985","0.0864","","","0.2291","0.2383","","","","","","1.049","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105317","24.2754","0.0003","29.7421","0.0005","11.8474","0.0002","90","","90","","90","","8553.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C44 H56 Cl2 Cu N4 O2 -","- C44 H55 Cl2 Cu N4 O1.5 -","- C352 H440 Cl16 Cu8 N32 O12 -","8","1","","Moreau, Louis; Balland-Longeau, Alexia; Mazabraud, Philippe; Duchêne, Alain; Thibonnet, Jérôme","Supramolecular and core-shell materials from self-assembled fibers.","Chemical communications (Cambridge, England)","2010","46","9","1464","1466","10.1039/b917279c","","x-ray","0.71073","MoKα","","0.2114","0.1018","","","0.2317","0.3003","","","","","","1.039","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105487","14.1012","0.0003","6.7152","0.0001","13.8579","0.0003","90","","90","","90","","1312.24","0.04","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br Cu2 N2 O4 -","- C12 H8 Br Cu2 N2 O4 -","- C48 H32 Br4 Cu8 N8 O16 -","4","0.5","","Amo-Ochoa, Pilar; Welte, Lorena; González-Prieto, Rodrigo; Sanz Miguel, Pablo J.; Gómez-García, Carlos J.; Mateo-Martí, Eva; Delgado, Salome; Gómez-Herrero, Julio; Zamora, Félix","Single layers of a multifunctional laminar Cu(i,ii) coordination polymer","Chemical Communications","2010","46","19","3262","3264","10.1039/b919647a","","","0.71073","MoKα","","0.0428","0.036","","","0.1015","0.1074","","","","","","1.092","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7105654","16.3","0.003","24.855","0.005","15.01","0.003","90","","90","","90","","6081","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O16 S4 -","- C68 H60 O16 S4 -","- C272 H240 O64 S16 -","4","0.5","","Lin, Li; Zhang, Jiaxin; Wu, Xiangxiang; Liang, Guoxing; He, Lan; Gong, Bing","Double-decked molecular crescents.","Chemical communications (Cambridge, England)","2010","46","39","7361","7363","10.1039/c0cc02465a","","","0.71073","MoKα","","0.1778","0.0751","","","0.1415","0.1744","","","","","","1.011","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105680","21.9524","0.0008","21.7688","0.0009","24.637","0.001","90","","90","","90","","11773.5","0.8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H62 N4 P2 S2 Si4 Ta2 -","- C49 H62 N4 P2 S2 Si4 Ta2 -","- C392 H496 N32 P16 S16 Si32 Ta16 -","8","1","","Joachim Ballmann; Alyssa Yeo; Bruce MacKay; Sabine van Rjit; Brian Patrick; Michael Fryzuk","Complete disassembly of carbon disulfide by a ditantalum complex","Chem.Commun.","2010","46","","8794","","10.1039/c0cc03483e","","","0.71073","MoKα","","0.0922","0.0368","","","0.0857","0.101","","","","","","1.015","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105697","17.887","0.004","16.1792","0.0018","28.955","0.008","90","","90","","90","","8380","3","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C66 H68 B2 Cl2 Co2 Fe2 N38 O14 -","- C66 H68 B2 Cl2 Co2 Fe2 N38 O14 -","- C264 H272 B8 Cl8 Co8 Fe8 N152 O56 -","4","0.5","","Julie Mercurol; Yanling Li; Emilio Pardo; Olivia Risset; Mannan Seuleiman; Helene Rousseliare; Rodrigue Lescouezec; Miguel Julve","[FeIIlsCoIIIls]2 [FeIIIlsCoIIhs]2 photoinduced conversion in a cyano-bridged heterobimetallic molecular square","Chem.Commun.","2010","46","","8995","","10.1039/c0cc02024a","","","0.71073","MoKα","","0.1216","0.0753","","","0.2188","0.248","","","","","","1.046","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105785","19.3135","0.0017","20.0036","0.0017","14.4432","0.0013","90","","90","","90","","5580","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H33 B N6 P Rh -","- C31 H33 B N6 P Rh -","- C248 H264 B8 N48 P8 Rh8 -","8","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","1.54178","CuKα","","0.0394","0.029","","","0.0696","0.0734","","","","","","1.052","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105853","14.811","0.005","19.09","0.007","13.027","0.004","90","","90","","90","","3683","2","233","2","233","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H52 B18 N2 Zn3 -","- C20 H52 B18 N2 Zn3 -","- C80 H208 B72 N8 Zn12 -","4","0.5","","Jong-Dae Lee; Won-Sik Han; Tae-Jin Kim; Sang Hern Kim; Sang Ook Kang","Charge-compensated Zn metallocenes with s-/p-chelating carboranyl ligands for the formation of constrained geometry Ru(II) and Ni(II) complexes","Chem.Commun.","2011","47","","1018","","10.1039/c0cc03787g","","","0.71073","MoKα","","0.1591","0.0663","","","0.1708","0.2504","","","","","","1.018","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7106057","12.9083","0.0013","17.3384","0.0017","15.139","0.0015","90","","90","","90","","3388.2","0.6","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 F12 Fe N10 P2 -","- C30 H26 F12 Fe N10 P2 -","- C120 H104 F48 Fe4 N40 P8 -","4","0.5","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.1753","0.1025","","","0.2595","0.367","","","","","","1.106","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106172","19.1063","0.0011","18.7848","0.0009","36.1295","0.0019","90","","90","","90","","12967.2","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C61 H45 N6 O7 Zn3 -","- C61 H45 N6 O7 Zn3 -","- C488 H360 N48 O56 Zn24 -","8","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0873","0.0519","","","0.0954","0.0967","","","","","","2.297","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7106173","18.9118","0.0005","19.0501","0.0005","36.0732","0.0009","90","","90","","90","","12996.2","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C61 H45 Cu3 N6 O7 -","- C61 H45 Cu3 N6 O7 -","- C488 H360 Cu24 N48 O56 -","8","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0691","0.0481","","","0.0898","0.0903","","","","","","2.988","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7106525","34.687","0.003","10.2092","0.0008","8.5888","0.0007","90","","90","","90","","3041.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,6-triisopropylbenzoato-O,O'-copper(I)","","- C16 H23 Cu O2 -","- C16 H23 Cu O2 -","- C128 H184 Cu8 O16 -","8","1","","Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Insulated copper(I) 'wires': structural variations and photoluminescence","Chem.Commun.","2011","47","","6939","","10.1039/c1cc11000d","","","0.71073","Mo-Kα","","0.0425","0.0375","","","0.0966","0.1003","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106600","12.2862","0.0004","14.9471","0.0004","20.8959","0.0005","90","","90","","90","","3837.39","0.19","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","?Mn-5TIA-2","","","- C43.7 H10 Mn2 N6 O8 -","- C43.7 H10 Mn2 N6 O8 -","- C174.8 H40 Mn8 N24 O32 -","4","0.5","","Tamas Panda; Pradip Pachfule; Rahul Banerjee","Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)","Chem.Commun.","2011","47","","7674","","10.1039/c1cc12278a","","","0.71073","MoKα","","0.1098","0.0862","","","0.2761","0.2872","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106828","16.9638","0.0002","13.8428","0.0001","16.3948","0.0002","90","","90","","90","","3849.93","0.07","123","1","123","1","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C16 H36 Br6 Ge8 P4 -","- C16 H36 Br6 Ge8 P4 -","- C64 H144 Br24 Ge32 P16 -","4","0.5","","Stefan Almstatter; Balazs Gabor; Michael Bodensteiner; Manfred Scheer","Germanium/Phosphorus Cage Compounds with Germanium in Three Different Oxidation States","Chem.Commun.","2011","47","","9998","","10.1039/c1cc13937a","","x-ray","1.54178","CuKα","","0.0522","0.0416","","","0.1059","0.1122","","","","","","1.033","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7107025","19.167","0.005","12.636","0.003","11.55","0.003","90","","90","","90","","2797.3","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 B F2 N7 -","- C32 H30 B F2 N7 -","- C128 H120 B4 F8 N28 -","4","0.5","","Hanzhuang Liu; John Mack; Qiuli Guo; Hua Lu; Nagao Kobayashi; Zhen Shen","A selective colorimetric and fluorometric ammonium ion sensor based on the H-aggregation of an aza-BODIPY with fused pyrazine rings","Chem.Commun.","2011","47","","12092","","10.1039/c1cc15746a","","","0.71073","MoKα","","0.1057","0.0592","","","0.1534","0.1695","","","","","","1.028","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107089","11.824","0.011","37.92","0.04","34.12","0.03","90","","90","","90","","15298","3","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(ii)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(II)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","","- C80 H70 F60 Fe5 N40 Sb10 -","- C80 H70 F60 Fe5 N40 Sb10 -","- C320 H280 F240 Fe20 N160 Sb40 -","4","0.5","","Giles, Ian D.; Chifotides, Helen T.; Shatruk, Michael; Dunbar, Kim R.","Anion-templated self-assembly of highly stable Fe(II) pentagonal metallacycles with short anion‒π contacts","Chemical Communications (Cambridge, United Kingdom)","2011","47","47","12604","12606","10.1039/c1cc15868f","","x-ray","0.71073","MoKα","","0.2411","0.0857","","","0.1952","0.2404","","","","","","0.714","","","","has coordinates,has disorder","211023","2020-10-21","18:00:00",""
"7107172","19.1076","0.0012","19.7346","0.0011","19.0033","0.0009","90","","90","","90","","7165.8","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C256 H336 N32 O40 -","8","1","","Suman Maity; Sibaprasad Maity; Poulami Jana; Debasish Haldar","Supramolecular double helix from capped ?-peptide","Chem.Commun.","2012","48","","711","","10.1039/c1cc15570a","","","1.54178","CuKα","","0.0995","0.08","","","0.1692","0.1791","","","","","","1.108","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107529","8.5827","0.0003","13.3565","0.0005","21.0613","0.0008","90","","90","","90","","2414.36","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 N6 O -","- C31 H24 N6 O -","- C124 H96 N24 O4 -","4","0.5","","Andrew Stephenson; Michael D. Ward","A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure","Chem.Commun.","2012","48","","3605","","10.1039/c2cc30197k","","","0.71073","MoKα","","0.0764","0.0492","","","0.1362","0.173","","","","","","1.098","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107807","12.4867","0.0007","8.0814","0.0006","16.3838","0.0009","90","","90","","90","","1653.29","0.18","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H22 B2 N2 -","- C18 H22 B2 N2 -","- C72 H88 B8 N8 -","4","0.5","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0752","0.0443","","","0.092","0.1024","","","","","","1.052","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107868","14.324","0.003","7.1135","0.0014","19.269","0.004","90","","90","","90","","1963.4","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H6 Cl4 N2 O4 -","- C24 H6 Cl4 N2 O4 -","- C96 H24 Cl16 N8 O16 -","4","0.5","","Xinqiang Cao; Shuming Bao; Yi-Shi Wu; Qing Liao; Qiang Shi; Hongbing Fu; Jiannian Yao","Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity","Chem.Commun.","2012","48","","6402","","10.1039/c2cc32112b","","","0.71073","MoKα","","0.0682","0.0619","","","0.1288","0.133","","","","","","1.166","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7108017","17.2237","0.0016","28.777","0.002","22.1354","0.0019","90","","90","","90","","10971.3","1.6","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C120 H108 B4 F12 O8 S4 -","- C121 H60 B4 F12 O8 S4 -","- C484 H240 B16 F48 O32 S16 -","4","0.5","","Nobuharu Iwasawa; Hiroki Takahagi; Kosuke Ono; Kotaro Fujii; Hidehiro Uekusa","Guest-induced self-assembly of a macrocyclic boronic ester containing diarylethene units: enhancement of photoresponsivity","Chem.Commun.","2012","48","","7477","","10.1039/c2cc31989f","","x-ray","0.71075","MoKα","","0.2206","0.1806","","","0.4902","0.5125","","","","","","1.808","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108522","16.0811","0.0004","24.0918","0.0006","14.2992","0.0004","90","","90","","90","","5539.8","0.2","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23.88 H26 Cu N O11 P -","- C21 H13 Cu O7 P -","- C168 H104 Cu8 O56 P8 -","8","1","","Woo Ram Lee; Dae Won Ryu; Won Ju Phang; Ji Hye Park; Chang Seop Hong","Charge effect of foreign metal ions and the crystal growth process in hybridized metal-organic frameworks","Chem.Commun.","2012","48","","10847","","10.1039/c2cc35526d","","","0.71073","MoKα","","0.0569","0.0438","","","0.1332","0.1385","","","","","","1.113","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108671","37.985","0.007","14.57","0.003","27.895","0.005","90","","90","","90","","15438","5","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C78 H60 Co3 N12 O19 -","- C78 H60 Co3 N12 O19 -","- C624 H480 Co24 N96 O152 -","8","1","","Kang Zhou; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Shu-Quan Zhang; Jie Ma; Mao-Chun Hong","Unprecedented three-level hierarchical entanglement in a coordination polymer","Chem.Commun.","2012","48","","12168","","10.1039/c2cc36270h","","","0.71073","MoKα","","0.0991","0.094","","","0.2765","0.2843","","","","","","1.013","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108844","31.5586","0.0014","16.6386","0.0008","13.6571","0.0006","90","","90","","90","","7171.2","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C82 H90 Cl4 N4 O3 Pt2 -","- C82 H90 Cl4 N4 O3 Pt2 -","- C328 H360 Cl16 N16 O12 Pt8 -","4","0.5","","Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming","Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1497","1499","10.1039/c2cc37862k","","","1.54178","CuKα","","0.0526","0.0481","","","0.1395","0.1433","","","","","","1.087","","","","has coordinates","210839","2020-10-21","18:00:00",""
"7108893","24.8363","0.0012","13.7847","0.0007","27.4404","0.0019","90","","90","","90","","9394.5","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H68 Cl25 Fe9 N6 O20 -","- C48 H64 Cl25 Fe9 N6 O20 -","- C192 H256 Cl100 Fe36 N24 O80 -","4","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.1064","0.0768","","","0.1977","0.2165","","","","","","1.032","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108942","16.8849","0.0004","14.7428","0.0003","28.866","0.0007","90","","90","","90","","7185.6","0.3","90","","90","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H90 Cl6 N10 Ni2 O -","- C75 H90 Cl6 N10 Ni2 O -","- C300 H360 Cl24 N40 Ni8 O4 -","4","0.5","","Mio Matsumura; Aya Tanatani; Isao Azumaya; Hyuma Masu; Daisuke Hashizume; Hiroyuki Kagechika; Atsuya Muranaka; Masanobu Uchiyama","Unusual conformational preference of an aromatic secondary urea: solvent-dependent open-closed conformational switching of N,N'-bis(porphyrinyl)urea","Chem.Commun.","2013","49","","2290","","10.1039/c2cc37583d","","","0.71073","MoKα","","0.09","0.0721","","","0.1887","0.199","","","","","","1.139","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7109025","21.1956","0.0011","7.5271","0.0004","17.1302","0.0014","90","","90","","90","","2733","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H13 Cl2 N O2 -","- C14 H13 Cl2 N O2 -","- C112 H104 Cl16 N8 O16 -","8","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0606","0.0429","","","0.0981","0.1091","","","","","","1.046","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109303","13.1134","0.0011","13.6354","0.0011","7.2439","0.0006","90","","90","","90","","1295.26","0.19","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","0.71073","MoKα","","0.0452","0.0376","","","0.0911","0.0957","","","","","","1.035","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109306","17.1516","0.0003","11.589","0.0002","8.4053","0.0002","90","","90","","90","","1670.72","0.06","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","1.54178","CuKα","","0.0368","0.0357","","","0.1003","0.1016","","","","","","1.023","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7110135","31.709","0.006","15.741","0.003","25.572","0.005","90","","90","","90","","12764","4","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C144 H184 O10 Zr4 -","- C144 H128 O10 Zr4 -","- C576 H512 O40 Zr16 -","4","0.5","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.0999","0.0845","","","0.1914","0.2015","","","","","","1.203","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110362","10.9098","0.0002","12.0848","0.0002","12.3099","0.0003","90","","90","","90","","1622.97","0.06","173","2","173","2","","","","","","","B. Luo / Prof. W. Gladfelter","5","P b c n","-P 2n 2ab","60","98154","","","- C14 H28 Cl Ga N2 -","- C14 H28 Cl Ga N2 -","- C56 H112 Cl4 Ga4 N8 -","4","0.5","","Luo, Bing; Young Jr., Victor G.; Gladfelter, Wayne L.","Syntheses and structures of quinuclidine-stabilized four- and five-coordinate mono- and di-chlorogallane","Chemical Communications","1999","","2","123","","10.1039/a807169a","","","0.71073","MoKα","","0.04","0.0296","","0.0644","0.0606","","","","1.117","1.154","1.154","","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110380","27.339","0.002","8.385","0.001","15.593","0.002","90","","90","","90","","3574.5","0.7","203","2","203","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H11 F12 N -","- C19 H11 F12 N -","- C152 H88 F96 N8 -","8","1","","Eric Banks, R.; Besheesh, Mohamed K.; Lawrence, Nicholas J.; Pritchard, Robin G.; Tovell, David J.","Novel conversion of perfluoro(2,6-dimethyl-1-azacyclohexene) to 3,3,4,4,5-pentafluoro-2,6-diphenyl-2,6-bis(trifluoromethyl)- 1-azabicyclo[3.1.0]hexane","Chemical Communications","1999","","1","47","","10.1039/a807673a","","","0.71069","MoKα","","0.062","0.0355","","","0.0718","0.0808","","","","","","1.029","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110387","28.034","0.0001","14.8758","0.0001","27.7355","0.0003","90","","90","","90","","11566.5","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48.5 H58 Cl3 Lu N14 O7.5 -","- C48.5 H42 Cl3 Lu N14 O7.5 -","- C388 H336 Cl24 Lu8 N112 O60 -","8","1","","Wietzke, Raphaël; Mazzanti, Marinella","Strong intramolecular π‒π interactions favor the formation of 2:1 (L:M) lanthanide complexes of tris(2-benzimidazolylmethyl)amine","Chemical Communications","1999","","2","209","","10.1039/a807831i","","","0.71073","MoKα","","0.1555","0.0867","","0.2566","0.2266","","","","1.055","1.272","1.272","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110452","22.617","0.005","10.047","0.002","7.594","0.002","90","","90","","90","","1725.6","0.7","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H24 Li2 N2 O -","- C18 H24 Li2 N2 O -","- C72 H96 Li8 N8 O4 -","4","0.5","","Clegg, William; Liddle, Stephen T.; Mulvey, Robert E.; Robertson, Alan","Dis-assembling lithium amide ladder structures: new insight through the structure of [{[PhCH2N(H)Li]2·thf}∞], a polymer of (NLi)2 planar rings connected by thf-bridged (NLi)2 butterfly junctions","Chemical Communications","1999","","6","511","","10.1039/a900392d","","","1.54184","CuKα","","0.0729","0.0509","","","0.1291","0.1469","","","","","","1.05","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110454","10.371","0.002","19.518","0.003","35.646","0.002","90","","90","","90","","7215.5","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H39 Cr N O13 S32 -","- C53 H36 Cr N O13 S32 -","- C212 H144 Cr4 N4 O52 S128 -","4","0.5","","Martin, Lee; Turner, Scott S.; Day, Peter; Abdul Malik, K. M.; Coles, Simon J.; Hursthouse, Michael B.","Polymorphism based on molecular stereoisomerism in tris(oxalato) Cr(III) salts of bedt-ttf [bis(ethylenedithio)tetrathiafulvalene]","Chemical Communications","1999","","6","513","","10.1039/a900482c","","","0.71069","MoKα","","0.1764","0.0655","","0.1243","0.1033","","","","0.731","1.041","1.041","","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110459","22.7015","0.0003","12.12","0.0002","12.9889","0.0002","90","","90","","90","","3573.79","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H27 Ag2 N4 O8.5 -","- C10 H24 Ag2 N4 O8.5 -","- C80 H192 Ag16 N32 O68 -","8","1","","Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming","Two- and three-dimensional non-interpenetrating open-networks self- assembled by μ4-hexamethylenetetramine (hmt). Syntheses and structures of [Ag2(μ4-hmt)(SO4)(H2O)]·4H2O and [Ag2(μ4-hmt)(μ-O2CMe)]MeCO2·4.5H2O","Chemical Communications","1999","","6","561","","10.1039/a900508k","","","0.71073","MoKα","","0.0617","0.0487","","","0.1251","0.1335","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110593","14.114","0.001","18.067","0.0007","20.8589","0.0004","90","","90","","90","","5319","0.4","273.2","","273.2","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H36 Ag4 Cl4 O16 -","- C60 H33 Ag4 Cl4 O16 -","- C240 H132 Ag16 Cl16 O64 -","4","0.5","","Munakata, Megumu; Suenaga, Yusaku; Sugimoto, Kunihisa; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Ning, Gui Ling","A novel double-strand helical motif in a two-dimensional polymeric complex of silver(I) perchlorate with benzo[e]acephenanthrylene","Chemical Communications","1999","","16","1545","","10.1039/a903941d","","","0.7107","MoKα","","0.1156","0.06","","","0.1374","0.1583","","","","","","1.469","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110643","20.399","0.002","15.674","0.002","18.02","0.002","90","","90","","90","","5761.6","1.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(Ph4As)2[Ru(S2C2(CN)2]3","","- C60 H40 As2 N6 Ru S6 -","- C60 H40 As2 N6 Ru S6 -","- C240 H160 As8 N24 Ru4 S24 -","4","0.5","","Maiti, Rabindranath; Shang, Maoyu; Graham Lappin, A.","A ruthenium(IV) complex with six sulfur donor atoms","Chemical Communications","1999","","23","2349","","10.1039/a905243g","","","0.71073","MoKα","","0.0898","0.0471","","0.1124","0.0999","","","","0.984","1.167","1.167","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110682","15.514","0.006","15.239","0.002","15.305","0.003","90","","90","","90","","3618.4","1.6","296.2","","296.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C152 H208 N16 O8 -","8","1","","Clayden, Jonathan; McCarthy, Catherine; Helliwell, Madeleine","Bonded peri-interactions govern the rate of racemisation of atropisomeric 8-substituted 1-naphthamides†","Chemical Communications","1999","","20","2059","","10.1039/a906398f","","","1.5418","CuKα","","0.0911","0.0529","","0.0474","0.0455","","","","2.843","3.508","3.508","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"7110709","10.733","0.004","19.038","0.004","15.678","0.004","90","","90","","90","","3203.6","1.6","296.2","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H54 Cl4 Co N6 Zn -","- C25 H54 Cl4 Co N6 Zn -","- C100 H216 Cl16 Co4 N24 Zn4 -","4","0.5","","Geue, Rodney J.; Jin Qin, C.; Ralph, Stephen F.; Sargeson, Alan M.; Skelton, Brian W.; White, Allan H.; Willis, Anthony C.","Sterically induced transmutations in cobalt amine chemistry","Chemical Communications","1999","","23","2351","2352","10.1039/a907237c","","","0.7107","MoKα","","","0.0342","","","","0.0289","","","","","","1.748","","","","has coordinates","256940","2020-10-21","18:00:00",""
"7110946","16.529","0.004","17.616","0.005","17.244","0.005","90","","90","","90","","5021","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H17 N7 O13.5 Sm -","- C20 H16 N7 O13.5 Sm -","- C160 H128 N56 O108 Sm8 -","8","1","","Long, De-Liang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Lanthanide co-ordination frameworks of 4,4′-bipyridine-N,N′-dioxide","Chemical Communications","2000","","15","1369","","10.1039/b002363i","","","0.71073","MoKα","","0.0438","0.0329","","","0.0686","0.0772","","","","","","1.165","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111084","13.3874","0.0004","13.9184","0.0007","12.095","0.0007","90","","90","","90","","2253.68","0.19","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H24 Cl2 Co N2 O2 S2 -","- C16 H16 Cl2 Co0.5 N O2 S2 -","- C64 H64 Cl8 Co2 N4 O8 S8 -","4","0.5","","Jouaiti, Abdelaziz; Hosseini, Mir Wais; De Cian, André","Design, synthesis and structural investigation of a 1-D directional coordination network based on the self-assembly of an unsymmetrical mono-tridentate ligand and cobalt cation","Chemical Communications","2000","","19","1863","","10.1039/b006099m","","","0.71073","Mo-Kα","","0.057","0.036","","0.125","","0.075","","","2.209","","","1.376","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111110","17.0538","0.001","20.0343","0.0012","17.74","0.0011","90","","90","","90","","6061.1","0.6","158","2","158","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H105 Nd3 O12 -","- C48 H88 Nd3 O12 -","- C192 H352 Nd12 O48 -","4","0.5","","Gromada, Jérome; Chenal, Thomas; Mortreux, André; Carpentier, Jean-François; Ziller, Joseph W.; Leising, Frédéric","Rare earth alkoxides as inorganic precursors for olefin polymerization: an alternative to traditional lanthanocene chemistry","Chemical Communications","2000","","22","2183","","10.1039/b006941h","","","0.71073","MoKα","","0.0615","0.041","","","0.1044","0.1183","","","","","","1.059","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00",""
"7111199","31.59","0.005","14.915","0.004","19.093","0.002","90","","90","","90","","8996","3","294","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H52 Br Cl2 N O8 -","- C48 H52 Br Cl2 N O8 -","- C384 H416 Br8 Cl16 N8 O64 -","8","1","","Black, David StC; Craig, Donald C.; Rezaie, Robert","Synthesis of mixed heterocalixarenes from benzofuranyl methanols and activated indoles","Chemical Communications","2002","","8","810","","10.1039/b200373b","","","1.54184","CuKα","","","0.07","","","","0.097","","","","","","3.29","","","","has coordinates","296815","2024-12-10","09:29:12",""
"7111270","28.831","0.003","11.3861","0.0012","8.4144","0.0009","90","","90","","90","","2762.2","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H24 N2 O8 -","- C30 H24 N2 O8 -","- C120 H96 N8 O32 -","4","0.5","","Walsh, R. D. Bailey; Bradner, M. W.; Fleischman, S.; Morales, L. A.; Moulton, B.; Rodríguez-Hornedo, N.; Zaworotko, M. J.","Crystal engineering of the composition of pharmaceutical phases","Chemical Communications","2003","","2","186","","10.1039/b208574g","","","0.71073","MoKα","","0.0541","0.0419","","","0.1358","0.1482","","","","","","1.106","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111369","5.4647","0.0001","7.9338","0.0002","43.4412","0.001","90","","90","","90","","1883.43","0.07","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.049","0.0417","","","0.1114","0.1168","","","","","","1.046","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111370","5.4523","0.0002","7.9556","0.0002","35.1453","0.0011","90","","90","","90","","1524.47","0.08","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.0456","0.0387","","","0.1069","0.1125","","","","","","1.166","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111371","5.4581","0.0002","7.9851","0.0003","51.7327","0.0016","90","","90","","90","","2254.69","0.14","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.067","0.0511","","","0.1415","0.1528","","","","","","1.106","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111374","43.203","0.008","19.245","0.004","17.168","0.003","90","","90","","90","","14274","5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H43 Er I9 N11 O13 -","- C56 H43 Er I9 N11 O13 -","- C448 H344 Er8 I72 N88 O104 -","8","1","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","","0.71073","MoKα","","0.0849","0.0788","","","0.166","0.169","","","","","","1.305","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111645","14.4459","0.0001","7.5558","0.0001","24.0084","0.0002","90","","90","","90","","2620.52","0.04","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","1.54184","CuKα","","0.0434","0.034","","","0.0888","0.0975","","","","","","1.059","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7112140","33.119","0.002","14.712","0.003","27.909","0.006","90","","90","","90","","13599","4","100","2","100","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C71.34 H87.2 N8.67 O6.59 -","- C71.344 H87.2 N8.672 O6.592 -","- C570.752 H697.6 N69.376 O52.736 -","8","1","","Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure","Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies","Chem.Commun.","2014","50","","3564","","10.1039/C4CC00821A","","x-ray","0.71073","MoKα","","0.1524","0.114","","","0.229","0.2466","","","","","","1.226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112211","35.2905","0.0011","24.1793","0.0008","35.0776","0.0012","90","","90","","90","","29931.7","1.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- O16 Se77 Sn42 -","- O16 Se77 Sn42 -","- O64 Se308 Sn168 -","4","0.5","","Qipu Lin; Xianhui Bub; Pingyun Feng","An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters","Chem.Commun.","2014","50","","4044","","10.1039/C4CC00583J","","","0.71073","MoKα","","0.1145","0.0518","","","0.1612","0.2016","","","","","","1.039","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112480","25.153","0.009","7.204","0.003","19.717","0.007","90","","90","","90","","3573","2","301","2","301","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","1","","Anu Jose; Jayakrishnan A.J.; Balaraman Vedhanarayanan; Rajeev S.Menon; Sunil Varughese; Eringathodi Suresh; Vijay Nair","A phosphine-mediated reaction of cyclic 1,2-diones and 3-alkyl allenoates: an efficient protocol for benzannulation applicable to the synthesis of polycyclic aromatic hydrocarbons","Chem.Commun.","2014","50","","4616","","10.1039/C4CC00378K","","","0.71073","MoKα","","0.0837","0.0655","","","0.148","0.16","","","","","","1.146","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112848","10.9301","0.0006","16.8303","0.0008","40.821","0.002","90","","90","","90","","7509.3","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H38 F6 N2 O7 Pd2 -","- C31 H38 F6 N2 O7 Pd2 -","- C248 H304 F48 N16 O56 Pd16 -","8","1","","Xiong, Tao; Li, Yan; Lv, Yunhe; Zhang, Qian","Remote amide-directed palladium-catalyzed benzylic C-H amination with N-fluorobenzenesulfonimide.","Chemical communications (Cambridge, England)","2010","46","36","6831","6833","10.1039/c0cc02175j","","","0.71073","MoKα","","0.1416","0.0746","","","0.1841","0.2204","","","","","","1.014","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112878","11.4025","0.0003","11.0978","0.0003","20.1842","0.0005","90","","90","","90","","2554.16","0.12","123","1","123","1","","","","","","","","5","P b c n","-P 2n 2ab","60","((4,4'-bipyridine)bis(carbamoylcyanonitrosomethanide)copper (ii)).tetramethanol","[(4,4'-bipyridine)bis(carbamoylcyanonitrosomethanide)copper (II)].tetramethanol","","- C20 H28 Cu N8 O8 -","- C20 H28 Cu N8 O8 -","- C80 H112 Cu4 N32 O32 -","4","0.5","","Chesman, Anthony S. R.; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Transformation of a 1D to 3D coordination polymer mediated by low temperature lattice solvent loss.","Chemical communications (Cambridge, England)","2010","46","27","4899","4901","10.1039/c0cc00711k","","","0.71073","MoKα","","0.0324","0.0282","","","0.0706","0.0732","","","","","","1.055","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7113942","24.1726","0.0015","13.1471","0.0008","21.9126","0.0012","90","","90","","90","","6963.8","0.7","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H84 Cl Nb O2 -","- C86 H84 Cl Nb O2 -","- C344 H336 Cl4 Nb4 O8 -","4","0.5","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0607","0.0462","","0.1242","0.1151","0.1242","","","","","","1.0335","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114115","33.485","0.002","7.9757","0.0004","12.4468","0.0006","90","","90","","90","","3324.1","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H13 Cl2 N3 O2 -","- C18 H3 Cl2 N3 O2 -","- C144 H24 Cl16 N24 O16 -","8","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.; Shi, Andy J.","Solution and solid-state studies of 3,4-dichloro-2,5-diamidopyrroles: formation of an unusual anionic narcissistic dimerElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b200980c/","Chemical Communications","2002","","7","758","","10.1039/b200980c","","","0.71073","MoKα","","0.2061","0.0796","","","0.1351","0.1576","","","","","","1.293","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114227","23.1148","0.0004","11.1692","0.0006","14.65","0.001","90","","90","","90","","3782.2","0.3","288","","288","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H36 Cr2 Cu3 N18 O3 -","- C21 H30 Cr2 Cu3 N18 O3 -","- C84 H120 Cr8 Cu12 N72 O12 -","4","0.5","","Thétiot, Franck; Triki, Smaïl; Pala, Jean Sala; Gómez-García, Carlos J.; Golhen, Stéphane","[Cu(tn)]3[Cr(CN)6]2·3H2O: a unique two-dimensional Cu‒Cr cyano-bridged ferromagnet (tn = 1,3-diaminopropane)","Chemical Communications","2002","","10","1078","","10.1039/b201312f","","","0.71073","MoKα","","0.1175","0.0659","","","0.1603","0.191","","","","","","1.053","","","","has coordinates,has disorder","180256","2020-10-21","18:00:00",""
"7114323","17.912","0.004","25.454","0.005","22.85","0.005","90","","90","","90","","10418","4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C91 H137 Li4 N6 Na2 O4 Yb2 -","- C94 H126 Li4 N6 Na2 O4 Yb2 -","- C376 H504 Li16 N24 Na8 O16 Yb8 -","4","0.5","","Chan, Hoi-Shan; Li, Hung-Wing; Xie, Zuowei","Synthesis and structural characterization of imido‒lanthanide complexes with a metal‒nitrogen multiple bond","Chemical Communications","2002","","6","652","","10.1039/b110793c","","","0.71073","MoKα","","0.0823","0.071","","","0.179","0.1874","","","","","","1.183","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114342","22.2956","0.001","18.0122","0.0008","21.9719","0.001","90","0.01","90","0.01","90","0.01","8823.8","0.7","173","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H20 Eu2 F20 N4 O8 -","- C38 H20 Eu2 F20 N4 O8 -","- C304 H160 Eu16 F160 N32 O64 -","8","1","","Petrov, Viacheslav A.; Marshall, William J.; Grushin, Vladimir V.","The first perfluoroacetylacetonate metal complexes: as unexpectedly robust as tricky to makeElectronic supplementary information (ESI) available: details of the preparation of the complexes, analytical, NMR spectroscopical, and crystallographic data. See: http://www.rsc.org/suppdata/cc/b1/b111249j/","Chemical Communications","2002","","5","520","","10.1039/b111249j","","","0.71073","MoKα","","0.0795","0.0393","","","0.0658","0.0731","","","","","","0.863","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114529","39.095","0.009","12.364","0.004","21.697","0.006","90","","90","","90","","10488","5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C54 H42 N12 Pd3 -","- C54 H42 N12 Pd3 -","- C432 H336 N96 Pd24 -","8","1","","Baran, Peter; Marrero, Cruz M.; Pérez, Soribel; Raptis, Raphael G.","Stepwise, ring-closure synthesis and characterization of a homoleptic palladium(ii)-pyrazolato cyclic trimer","Chemical Communications","2002","","9","1012","","10.1039/b201301k","","","0.71073","MoKα","","0.1849","0.0526","","","0.0706","0.0923","","","","","","0.82","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114563","8.165","0.0004","11.636","0.0005","17.565","0.0008","90","","90","","90","","1668.81","0.13","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H12 N4 -","- C21 H12 N4 -","- C84 H48 N16 -","4","0.5","","Shanmugam Easwaramoorthi; Pichandi Thamaraiselvi; Kumaraguru Duraimurugan; Arockiam Jesin Beneto; Ayyanar Siva; Balachandran Unni Nair","Charge instability of symmetry broken dipolar states in quadrupolar and octupolar triphenylamine derivatives","Chem.Commun.","2014","50","","6902","","10.1039/C3CC47514J","","","0.71073","MoKα","","0.0446","0.0344","","","0.0842","0.0924","","","","","","1.048","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114668","20.1655","0.0008","17.8134","0.0007","21.2546","0.0009","90","","90","","90","","7635","0.5","91","2","91","2","","","","","","","","5","P b c n","-P 2n 2ab","60","NacNacGaN(SiMe3)2(N3)","","","- C35 H59 Ga N6 Si2 -","- C35 H59 Ga N6 Si2 -","- C280 H472 Ga8 N48 Si16 -","8","1","","Hardman, Ned J.; Power, Philip P.","Unique structural isomerism involving tetrazole and amide/azide derivatives of gallium","Chemical Communications","2001","","13","1184","","10.1039/b100466m","","","0.71073","MoKα","","0.0552","0.0354","","","0.0901","0.1023","","","","","","0.993","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114762","13.0347","0.0015","15.6221","0.0017","23.506","0.004","90","","90","","90","","4786.5","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Gd N4 O10.5 -","- C21 H24 Gd N4 O10.5 -","- C168 H192 Gd8 N32 O84 -","8","1","","Bretonnière, Yann; Mazzanti, Marinella; Pécaut, Jacques; Dunand, Frank A.; Merbach, André E.","A new heptadentate tripodal ligand leading to a gadolinium complex with an improved relaxation efficiency","Chemical Communications","2001","","7","621","","10.1039/b100657f","","","0.71073","MoKα","","0.0424","0.0234","","","0.0496","0.0526","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115209","14.42","0.003","12.267","0.002","24.062","0.005","90","","90","","90","","4256.3","1.4","83","","83","","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,3-Bis(ferrocenyl)allylium hexafluorophosphate","","- C23 H21 F6 Fe2 P -","- C23 H18 F6 Fe2 P -","- C184 H144 F48 Fe16 P8 -","8","1","","Barlow, Stephen; Henling, Lawrence M.; Day, Michael W.; Marder, Seth R.; Marder, Seth R.","Effect of the end-groups upon delocalisation in polymethines: the first crystallographically characterised bond-alternated cyanine","Chemical Communications","1999","","16","1567","","10.1039/a903868j","","","0.71073","MoKα","","0.1011","0.0711","","","0.1281","0.1327","","","","","","2.656","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115528","17.1431","0.0012","15.7892","0.0011","14.4285","0.0011","90","","90","","90","","3905.4","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C41 H40 Ga Mo N2 O5 -","- C41 H40 Ga Mo N2 O5 -","- C164 H160 Ga4 Mo4 N8 O20 -","4","0.5","","Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov","Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum","Chem.Commun.","2014","50","","10108","","10.1039/C4cc04019H","","","0.71073","MoKα","","0.0298","0.0242","","","0.0646","0.0672","","","","","","1.044","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115750","13.9796","0.0002","15.2329","0.0002","13.2072","0.0002","90","","90","","90","","2812.47","0.07","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Bi N7 O9 -","- C24 H36 Bi N7 O9 -","- C96 H144 Bi4 N28 O36 -","4","0.5","","Luis M. P. Lima; Maryline Beyler; Fatima Oukhatar; Patricia Le Saec; Alain Faivre-Chauvet; Carlos Platas-Iglesias; Rita Delgado; Raphael Tripier","H2Me-do2pa: an attractive chelator with fast, stable and inert natBi3+ and 213Bi3+ complexation for potential alpha-radioimmunotherapy applications","Chem.Commun.","2014","50","","12371","","10.1039/C4cc05529B","","x-ray","0.71073","MoKα","","0.0385","0.0175","","","0.045","0.0476","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115935","10.5139","0.0012","14.6832","0.0017","40.182","0.005","90","","90","","90","","6203.2","1.3","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H29 B2 F8 N5 Ni O2 -","- C27 H33 B2 F8 N5 Ni O2 -","- C216 H264 B16 F64 N40 Ni8 O16 -","8","1","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.0942","0.0627","","","0.1695","0.1905","","","","","","1.024","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116044","18.9268","0.0013","8.3654","0.0005","23.4009","0.0019","90","","90","","90","","3705.1","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C144 H200 Br8 N16 O24 -","8","1","","Can Xue; Chunling Fu; Shengming Ma","Highly regio- and stereoselective nitro-oxoamination of mono-substituted allenes","Chem.Commun.","2014","50","","15333","","10.1039/C4cc05743K","","","0.71073","MoKα","","0.0599","0.0381","","","0.0809","0.0915","","","","","","1.033","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116309","28.753","0.003","36.229","0.004","14.8139","0.0017","90","","90","","90","","15432","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H86 Cl N22 O16.5 -","- C53 H72.9998 Cl N22 O16.5 -","- C424 H583.998 Cl8 N176 O132 -","8","1","","Jiang, Xiaoqing; Yao, Xuyang; Huang, Xinghua; Wang, Qiaochun; Tian, He","A cucurbit[5]uril analogue from dimethylpropanediurea-formaldehyde condensation.","Chemical communications (Cambridge, England)","2015","51","14","2890","","10.1039/c4cc09900a","","","0.71073","MoKα","","0.1624","0.1177","","","0.3256","0.3486","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116354","15.715","0.003","12.1408","0.0014","9.9342","0.0012","90","","90","","90","","1895.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2,3dmatphmonomer","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","","Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee","Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores","Chem.Commun.","2015","51","","310","","10.1039/C4CC07104B","","","0.71073","MoKα","","0.1355","0.0883","","","0.2742","0.3453","","","","","","1.082","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116561","29.508","0.005","8.3721","0.0014","19.678","0.003","90","","90","","90","","4861.3","1.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H31 N O5 -","- C26 H31 N O5 -","- C208 H248 N8 O40 -","8","1","","Qiao-Hui Deng; Jia-Rong Chen; Qiang Wei; Quan-Qing Zhao; Liang-Qiu Lu; Wen-Jing Xiao","Visible-light-induced photocatalytic oxytrifluoromethylation of N-allylamides for the synthesis of CF3-containing oxazolines and benzoxazines","Chem.Commun.","2015","51","","3537","","10.1039/C4cc10217G","","","0.71073","MoKα","","0.1159","0.0889","","","0.2568","0.2908","","","","","","1.036","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116611","8.3971","0.0003","12.4057","0.0004","17.927","0.0006","90","","90","","90","","1867.49","0.11","100","","100.11","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 Zr -","- C24 H24 Zr -","- C96 H96 Zr4 -","4","0.5","","Thapa, Surendra; Basnet, Prakash; Gurung, Santosh K.; Giri, Ramesh","Copper-catalysed cross-coupling of arylzirconium reagents with aryl and heteroaryl iodides","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4009","4012","10.1039/c5cc00116a","","","0.71073","MoKα","","0.0219","0.0187","","","0.0493","0.0521","","","","","","1.042","","","","has coordinates","211002","2020-10-21","18:00:00",""
"7116919","11.6165","0.0006","12.7592","0.0007","12.4644","0.0006","90","","90","","90","","1847.44","0.17","103","2","103","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H17 O -","- C28 H17 O -","- C112 H68 O4 -","4","0.5","","Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada","9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals","Chem.Commun.","2015","51","","6734","","10.1039/C4cc10104A","","","0.71075","MoKα","","0.1043","0.0606","","","0.1378","0.1572","","","","","","1.041","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116966","13.7598","0.0011","18.9444","0.0015","14.2281","0.0011","90","","90","","90","","3708.9","0.5","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 Al Br2 N2 Ni -","- C38 H46 Al Br2 N2 Ni -","- C152 H184 Al4 Br8 N8 Ni4 -","4","0.5","","Wei Gao; Lan Xin; Zhiqiang Hao; Guodong Li; Ji-Hu Su; Lijing Zhou; Ying Mu","The ligand redox behavior and role in 1,2-bis[(2,6-diisopropylphenyl)imino]-acenaphthene nickel-TMA(MAO) systems for ethylene polymerization","Chem.Commun.","2015","51","","7004","","10.1039/C5cc00582E","","","0.71073","MoKα","","0.0514","0.0343","","","0.0823","0.0905","","","","","","1.015","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7117169","16.62","0.004","8.218","0.002","19.159","0.005","90","","90","","90","","2616.8","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-phenylbenzimidazolium Sulfate Ethanol Solvate","","","- C28 H28 N4 O5 S -","- C28 H28 N4 O5 S -","- C112 H112 N16 O20 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.1497","0.1023","","","0.2031","0.2235","","","","","","1.095","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117170","16.933","0.004","8.0337","0.0018","19.688","0.004","90","","90","","90","","2678.3","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-phenylbenzimidazolium Sulfate Methanol Solvate","","","- C28 H30 N4 O6 S -","- C28 H30 N4 O6 S -","- C112 H120 N16 O24 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.1148","0.065","","","0.159","0.1915","","","","","","1.045","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117174","17.3442","0.0012","8.0712","0.0006","19.5768","0.0014","90","","90","","90","","2740.5","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-Phenylbenzimidazolium Selenate MeOH Solvate","","","- C28 H30 N4 O6 Se -","- C28 H30 N4 O6 Se -","- C112 H120 N16 O24 Se4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0619","0.0376","","","0.0772","0.0866","","","","","","1.043","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117238","24.291","0.003","17.933","0.002","24.334","0.003","90","","90","","90","","10600","2","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C58.01 H55.02 Au2 F6 N P Sb -","- C58.014 H55.016 Au2 F6 N P Sb -","- C464.112 H440.128 Au16 F48 N8 P8 Sb8 -","8","1","","Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood","Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis","Chem.Commun.","2015","51","","9702","","10.1039/C5cc02629F","","","1.54178","CuKα","","0.0446","0.0437","","","0.1033","0.1038","","","","","","1.209","","","","has coordinates,has disorder","137604","2020-10-21","18:00:00",""
"7117395","34.9331","0.0005","10.1199","0.0002","20.5135","0.0003","90","","90","","90","","7251.9","0.2","113","2","113","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl2 Cu F3 N4 O6 S -","- C29 H44 Cl2 Cu F3 N4 O6 S -","- C232 H352 Cl16 Cu8 F24 N32 O48 S8 -","8","1","","Mohammad S. Askari; MaylisOriob; Xavier Ottenwaelder","Controlled nitrene transfer from a tyrosinase-like arylnitroso-copper complex","Chem.Commun.","2015","51","","11206","","10.1039/C5cc02806J","","","1.54178","CuKα","","0.0721","0.0527","","","0.1423","0.1561","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117398","23.2307","0.0011","11.1515","0.0005","9.2568","0.0004","90","","90","","90","","2398.04","0.19","173","2","172.99","","","","","","","","","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","","Hai Qian; Ivan Aprahamian","An emissive and pH switchable hydrazone-based hydrogel","Chem.Commun.","2015","51","","11158","","10.1039/C5cc03007B","","","1.54178","CuKα","","0.0976","0.0837","","","0.2561","0.269","","","","","","1.108","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117606","11.3594","0.0002","40.7108","0.0006","19.0962","0.0003","90","","90","","90","","8831","0.2","200","1","200","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H99 Cu2 N7 O10 -","- C91 H99 Cu2 N7 O10 -","- C364 H396 Cu8 N28 O40 -","4","0.5","","Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Mechanical switching of magnetic interaction by tweezers-type complex.","Chemical communications (Cambridge, England)","2015","51","65","12916","12919","10.1039/c5cc04980f","","","1.54178","CuKα","","0.1306","0.0909","","","0.2591","0.2876","","","","","","1.102","","","","has coordinates,has disorder","152988","2020-10-21","18:00:00",""
"7117736","11.355","0.002","27.735","0.006","13.353","0.003","90","","90","","90","","4205.3","1.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C2 H5.94 B11 Br5.06 Cs F3 O3 S -","- C2 H5.942 B11 Br5.058 Cs F3 O3 S -","- C16 H47.536 B88 Br40.464 Cs8 F24 O24 S8 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0693","0.0413","","","0.1016","0.1151","","","","","","1.024","","","","has coordinates,has disorder","153893","2020-10-21","18:00:00",""
"7117749","13.8535","0.0014","11.4448","0.0013","7.1913","0.0007","90","","90","","90","","1140.2","0.2","90","2","90","2","","","","","","","see text","4","P b c n","-P 2n 2ab","60","thiophenol-selenophenol alloy","","","- C6 H6 S0.95 Se0.05 -","- C6 H6 S0.95 Se0.05 -","- C48 H48 S7.6 Se0.4 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.0784","0.0625","","","0.1483","0.1528","","","","","","1.227","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117750","13.856","0.004","11.425","0.003","7.1934","0.0018","90","","90","","90","","1138.7","0.5","90","2","90","2","","","","","","","see text","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 S0.91 Se0.09 -","- C6 H6 S0.91 Se0.09 -","- C48 H48 S7.28 Se0.72 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.1079","0.0782","","","0.2004","0.2098","","","","","","1.162","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117870","29.202","0.005","17.637","0.001","14.745","0.008","90","","90","","90","","7594","4","79.9","0.4","79.9","0.4","","","","","","","","3","P b c n","-P 2n 2ab","60","","(3,3',3'',3''',6,6',6'',6'''-octabromo-9,9',9'',9''',9''''9''''',9'''''',9'''''''-octaethyl)[2.2.2.2]-(2,7)-fluorenephanetetraene","","- C90 H80 Br8 -","- C90 H80 Br8 -","- C360 H320 Br32 -","4","0.5","","Majewski, Marcin A.; Lis, Tadeusz; Cybińska, Joanna; Stępień, Marcin","Chrysaorenes: assembling coronoid hydrocarbons via the fold-in synthesis.","Chemical communications (Cambridge, England)","2015","51","82","15094","15097","10.1039/c5cc06046j","","","0.71073","MoKα","","0.0837","0.0496","","","0.1165","0.1342","","","","","","1.025","","","","has coordinates","171424","2020-10-21","18:00:00",""
"7118067","15.6786","0.0006","18.9401","0.0007","7.1383","0.0003","90","","90","","90","","2119.75","0.14","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H26 Au Cl N2 -","- C24 H26 Au Cl N2 -","- C96 H104 Au4 Cl4 N8 -","4","0.5","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","","0.71073","MoKα","","0.0395","0.0286","","","0.0648","0.0705","","","","","","1.093","","","","has coordinates,has disorder","170363","2020-10-21","18:00:00",""
"7118191","12.2821","0.0002","16.7365","0.0003","44.4675","0.0008","90","","90","","90","","9140.7","0.3","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C39 H36 F9 N O9 P3 S3 Sb -","- C39 H36 F9 N O9 P3 S3 Sb -","- C312 H288 F72 N8 O72 P24 S24 Sb8 -","8","1","","Chitnis, Saurabh S.; Vos, Kevin A.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Distinction between coordination and phosphine ligand oxidation: interactions of di- and triphosphines with Pn^3+^ (Pn = P, As, Sb, Bi)","Chemical Communications (Cambridge, United Kingdom)","2016","52","","685","688","10.1039/c5cc08086j","","","1.54178","CuKα","","0.0438","0.0415","","","0.0942","0.0956","","","","","","1.191","","","","has coordinates","209786","2020-10-21","18:00:00",""
"7118676","11.9458","0.0004","12.6538","0.0004","25.2208","0.0008","90","","90","","90","","3812.4","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H26 N2 -","- C24 H26 N2 -","- C192 H208 N16 -","8","1","","Hepburn, Hamish B.; Melchiorre, Paolo","Brønsted acid-catalysed conjugate addition of photochemically generated α-amino radicals to alkenylpyridines.","Chemical communications (Cambridge, England)","2016","52","17","3520","3523","10.1039/c5cc10401g","","","0.71073","MoKα","","0.081","0.0486","","","0.1099","0.1258","","","","","","1.035","","","","has coordinates","177707","2020-10-21","18:00:00",""
"7118727","13.908","0.014","20.33","0.02","10.298","0.012","90","","90","","90","","2912","5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H32 N9 Na O5 -","- C27 H32 N9 Na O5 -","- C108 H128 N36 Na4 O20 -","4","0.5","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","","","0.71073","MoKα","","0.0921","0.0485","","","0.1055","0.1252","","","","","","1.023","","","","has coordinates","177675","2020-10-21","18:00:00",""
"7119032","13.0435","0.0004","18.7272","0.0007","23.6159","0.0009","90","","90","","90","","5768.6","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34.25 H22.5 Au2 Cl0.5 N2 -","- C34.25 H22.5 Au2 Cl0.5 N2 -","- C274 H180 Au16 Cl4 N16 -","8","1","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Luminescent mechanochromism of a chiral complex: distinct crystal structures and color changes of racemic and homochiral gold( <scp>i</scp> ) isocyanide complexes with a binaphthyl moiety","Chem. Commun.","2016","52","52","8083","8086","10.1039/C6CC03541H","","","0.71075","MoKα","","0.0532","0.038","","","0.0701","0.0749","","","","","","1.061","","","","has coordinates,has disorder","282905","2023-04-28","18:54:43",""
"7119790","11.8946","0.0003","17.0004","0.0005","21.7463","0.0008","90","","90","","90","","4397.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H31 N3 O9 -","- C18 H31 N3 O9 -","- C144 H248 N24 O72 -","8","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1172","0.0525","","","0.1234","0.1495","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119939","14.8944","0.0004","9.8978","0.0003","32.5727","0.0007","90","","90","","90","","4801.9","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","dipyrihexaphyrin uranyl","dipyriamethyrin uranyl complex","","- C56 H46 F10 N6 O2 U -","- C56 H46 F10 N6 O2 U -","- C224 H184 F40 N24 O8 U4 -","4","0.5","","Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L.","Synthesis and characterization of a dipyriamethyrin-uranyl complex.","Chemical communications (Cambridge, England)","2017","53","36","4981","4984","10.1039/c7cc01674c","","","1.54184","CuKα","","0.047","0.0375","","","0.0883","0.0947","","","","","","1.1","","","","has coordinates","196293","2020-10-21","18:00:00",""
"7119980","25.686","0.005","31.77","0.005","25.129","0.005","90","0.005","90","0.005","90","0.005","20506","7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C120 H236 Mo24 N10 O88 P2 Zn8 -","- C104 H162 Mo24 N9 O88 P2 Zn8 -","- C416 H648 Mo96 N36 O352 P8 Zn32 -","4","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71069","MoKα","","0.1331","0.0832","","","0.2245","0.2523","","","","","","0.998","","","","has coordinates,has disorder","196264","2020-10-21","18:00:00",""
"7120044","23.7144","0.0019","16.4758","0.0013","29.359","0.002","90","","90","","90","","11471","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","BODIPY dimer","","- C54 H60 B2 F4 N4 Si2 -","- C54 H60 B2 F4 N4 Si2 -","- C432 H480 B16 F32 N32 Si16 -","8","1","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.2273","0.1275","","","0.3584","0.4482","","","","","","0.976","","","","has coordinates,has disorder","195835","2020-10-21","18:00:00",""
"7120206","18.6158","0.0016","18.2847","0.0014","24.601","0.002","90","","90","","90","","8373.8","1.2","273","","273","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C103 H84 Ag2 N10 Pt2 -","- C103 H84 Ag2 N10 Pt2 -","- C412 H336 Ag8 N40 Pt8 -","4","0.5","","Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03447D","","","0.71075","MoKα","","0.0308","0.0264","","","0.0536","0.0552","","","","","","1.096","","","","has coordinates,has disorder","197054","2020-10-21","18:00:00",""
"7120294","10.0069","0.0008","13.2066","0.001","14.6031","0.0012","90","","90","","90","","1929.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","exo-6,exo-9 bis(1-ethylimidazole) nido-decaboran","","- C10 H28 B10 N4 -","- C10 H28 B10 N4 -","- C40 H112 B40 N16 -","4","0.5","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0529","0.0439","","","0.1204","0.1272","","","","","","1.05","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120320","15.7801","0.0008","7.4805","0.0004","16.1842","0.0008","90","","90","","90","","1910.43","0.17","115","2","115.01","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H27 N2 P -","- C21 H27 N2 P -","- C84 H108 N8 P4 -","4","0.5","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.0393","0.0355","","","0.0976","0.1012","","","","","","1.026","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120406","42.5349","0.0007","15.8092","0.0007","16.7646","0.0018","90","","90","","90","","11273.2","1.3","90","","90","","","","","","","","","3","P b c n","-P 2n 2ab","60","pillar[5]arene heptane","","","- C62 H86 O10 -","- C62 H86 O10 -","- C496 H688 O80 -","8","1","","Ogoshi, Tomoki; Sueto, Ryuta; Hamada, Yukie; Doitomi, Kazuki; Hirao, Hajime; Sakata, Yoko; Akine, Shigehisa; Kakuta, Takahiro; Yamagishi, Tada-aki","Alkane-Length Sorting Using Activated Pillar[5]arene Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC04454B","","","1.54178","CuKα","","0.0961","0.0951","","","0.2675","0.2682","","","","","","1.098","","","","has coordinates,has disorder","198608","2020-10-21","18:00:00",""
"7120503","18.9494","0.0012","23.0427","0.0013","17.9917","0.001","90","","90","","90","","7856","0.8","143","2","143","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Cu(CHDAP)(BPh4)2","","","- C86 H99 B2 Cu N6 O2 -","- C86 H99 B2 Cu N6 O2 -","- C344 H396 B8 Cu4 N24 O8 -","4","0.5","","Kim, Bohee; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic Reactivity of Copper(II)-Alkylperoxo Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03965D","","","0.71073","MoKa","","0.0768","0.0538","","","0.1468","0.167","","","","","","1.165","","","","has coordinates","199375","2020-10-21","18:00:00",""
"7121596","8.603","0.002","9.609","0.003","15.328","0.005","90","","90","","90","","1267.1","0.6","213.15","","213.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","FeTz","","- C2 H5 Fe0.5 N3 O4 P -","- C2 H5 Fe0.5 N3 O4 P -","- C16 H40 Fe4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0467","0.0377","","","0.0785","0.0827","","","","","","1.122","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121597","8.708","0.002","9.681","0.003","15.573","0.004","90","","90","","90","","1312.8","0.6","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","MnTz","","- C2 H5 Mn0.5 N3 O4 P -","- C2 H5 Mn0.5 N3 O4 P -","- C16 H40 Mn4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0383","0.0326","","","0.079","0.082","","","","","","1.127","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121598","8.477","0.003","9.531","0.003","15.479","0.005","90","","90","","90","","1250.6","0.7","223.15","","223.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","CoTz","","- C2 H5 Co0.5 N3 O4 P -","- C2 H5 Co0.5 N3 O4 P -","- C16 H40 Co4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0271","0.0256","","","0.0669","0.0681","","","","","","1.085","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121635","7.4984","0.0001","10.1051","0.0002","20.5483","0.0004","90","","90","","90","","1556.99","0.05","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","0.5","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0309","0.0295","","","0.0834","0.0846","","","","","","0.976","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121714","22.65","0.003","8.8845","0.0011","8.9245","0.0011","90","","90","","90","","1795.9","0.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H12 Cu3 O12 P2 -","- C14 H12 Cu3 O12 P2 -","- C56 H48 Cu12 O48 P8 -","4","0.5","","Wang, Peng-Fei; Bao, Song-Song; Huang, Xin-Da; Akutagawa, T.; Zheng, Li-Min","Temperature controlled formation of polar copper phosphonates showing large dielectric anisotropy and a dehydration-induced switch from ferromagnetic to antiferromagnetic interactions.","Chemical communications (Cambridge, England)","2018","54","49","6276","6279","10.1039/c8cc02819b","","","0.71073","MoKα","","0.0494","0.0334","","","0.0721","0.0774","","","","","","1.004","","","","has coordinates","228498","2020-10-21","18:00:00",""
"7121751","16.1053","0.0013","20.5425","0.0016","16.542","0.0012","90","","90","","90","","5472.8","0.7","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H23 Br N2 O6 -","- C27 H23 Br N2 O6 -","- C216 H184 Br8 N16 O48 -","8","1","","Gurubrahamam, Ramani; Nagaraju, Koppanathi; Chen, Kwunmin","Organocatalytic synthesis of densely functionalized oxa-bridged 2,6-epoxybenzo[b][1,5]oxazocine heterocycles.","Chemical communications (Cambridge, England)","2018","54","47","6048","6051","10.1039/c8cc02565g","","","0.71073","MoKα","","0.1358","0.0887","","","0.1406","0.158","","","","","","1.119","","","","has coordinates","228327","2020-10-21","18:00:00",""
"7122025","9.1844","0.0002","14.3006","0.0003","14.7076","0.0004","90","","90","","90","","1931.73","0.08","149.95","0.1","149.95","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Tb(BH4)3(THF)3]","","- C12 H34.54 B2.63 I0.37 O3 Tb -","- C12 H34.5432 B2.6358 I0.3642 O3 Tb -","- C48 H138.173 B10.5432 I1.4568 O12 Tb4 -","4","0.5","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","x-ray","0.71073","MoKα","","0.0273","0.0267","","","0.0537","0.0539","","","","","","1.276","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122177","18.9589","0.0005","17.5568","0.0004","20.8566","0.0005","90","","90","","90","","6942.3","0.3","170","2","170","","","","","","","","","3","P b c n","-P 2n 2ab","60","","DIF","","- C80 H64 O -","- C80 H64 O -","- C320 H256 O4 -","4","0.5","","Qiu, Shuhai; Wang, Chaoqiang; Xie, Sheng; Huang, Xiaobo; Chen, Lanlan; Zhao, Yunhui; Zeng, Zebing","Toward helical-shaped diradicaloids: cyclobutenyl o-quinodimethane-bridged indeno[1,2-b]fluorenes.","Chemical communications (Cambridge, England)","2018","54","81","11383","11386","10.1039/c8cc05929b","","","1.34139","GaKα","","0.0673","0.0565","","","0.1496","0.1562","","","","","","1.056","","","","has coordinates","228111","2020-10-21","18:00:00",""
"7122219","11.0912","0.0003","18.5647","0.0013","10.9748","0.0002","90","","90","","90","","2259.76","0.17","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H19 Br I2 O2 -","- C24 H19 Br I2 O2 -","- C96 H76 Br4 I8 O8 -","4","0.5","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0205","0.0183","","","0.0432","0.044","","","","","","1.073","","","","has coordinates","228049","2020-10-21","18:00:00",""
"7122265","10.847","0.0003","14.2197","0.0005","14.3756","0.0004","90","","90","","90","","2217.31","0.12","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H18 N16 O11 -","- C12 H18 N16 O11 -","- C48 H72 N64 O44 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.","Chemical communications (Cambridge, England)","2018","54","75","10566","10569","10.1039/c8cc05987j","","","1.54178","CuKα","","0.059","0.0525","","","0.1328","0.138","","","","","","1.038","","","","has coordinates","228180","2020-10-21","18:00:00",""
"7122428","12.8668","0.0005","28.2571","0.0009","20.0883","0.0006","90","","90","","90","","7303.7","0.4","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C48 H107 Ge4 K1.09 N8 O18 Rb1.91 Zn -","- C48 H107 Ge4 K1.09 N8 O18 Rb1.91 Zn -","- C192 H428 Ge16 K4.36 N32 O72 Rb7.64 Zn4 -","4","0.5","","Henneberger, Thomas; Klein, Wilhelm; Dums, Jasmin V.; Fässler, Thomas F","[(μ<sub>2</sub>-H)(η<sup>2</sup>-Ge<sub>4</sub>)ZnPh<sub>2</sub>]<sup>3-</sup>, an edge-on protonated E<sub>4</sub> cluster establishing the first three-center two-electron Ge-H-Ge bond.","Chemical communications (Cambridge, England)","2018","54","87","12381","12384","10.1039/c8cc06843g","","","0.71073","MoKα","","0.0694","0.0345","","","0.0707","0.0757","","","","","","0.866","","","","has coordinates","228614","2020-10-21","18:00:00",""
"7122689","23.909","0.011","11.079","0.005","7.591","0.004","90","","90","","90","","2010.8","1.7","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0423","0.0406","","","0.1121","0.115","","","","","","1.022","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122781","22.0586","0.0009","9.503","0.0004","44.7513","0.0018","90","","90","","90","","9380.9","0.7","100","2","99.97","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C104 H82 Co2 N28 O13 -","- C104 H82 Co2 N28 O13 -","- C416 H328 Co8 N112 O52 -","4","0.5","","Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa","Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks","Chemical Communications","2019","","","","","10.1039/C8CC09152H","","","1.54178","CuKα","","0.0933","0.0752","","","0.1651","0.1732","","","","","","1.142","","","","has coordinates,has disorder","212901","2020-10-21","18:00:00",""
"7123173","16.3157","0.0004","11.6083","0.0003","7.697","0.0002","90","","90","","90","","1457.79","0.06","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C36 H24 Cl12 Cu12 N24 -","4","0.5","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0787","0.0538","","","0.1316","0.1428","","","","","","1.022","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123174","16.3471","0.0015","11.639","0.0011","7.8446","0.0015","90","","90","","90","","1492.5","0.3","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C36 H24 Cl12 Cu12 N24 -","4","0.5","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.1257","0.0809","","","0.2536","0.356","","","","","","1.277","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123202","19.288","0.004","18.96","0.004","14.565","0.003","90","","90","","90","","5326.4","1.9","173","2","173.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H26 O2 S2 -","- C30 H26 O2 S2 -","- C240 H208 O16 S16 -","8","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0518","0.0511","","","0.1134","0.1137","","","","","","1.138","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123226","18.336","0.006","16.773","0.005","24.001","0.007","90","","90","","90","","7382","4","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H59 N4 O0.25 P3 Ru -","- C32 H59 N4 O0.25 P3 Ru -","- C256 H472 N32 O2 P24 Ru8 -","8","1","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","0.71073","MoKα","","0.0742","0.0483","","","0.1248","0.1394","","","","","","0.989","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123618","27.525","0.003","7.786","0.0007","16.8266","0.0016","90","","90","","90","","3606.1","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H17 Cl2 N2 O2 -","- C20 H17 Cl2 N2 O2 -","- C160 H136 Cl16 N16 O16 -","8","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","","0.71073","MoKα","","0.0488","0.0333","","","0.069","0.0751","","","","","","1.026","","","","has coordinates","215762","2020-10-21","18:00:00",""
"7123651","35.5335","0.0004","18.9692","0.0002","20.8833","0.0002","90","","90","","90","","14076.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C153 H74 B2 Br2 Cl2 F56 N4 Ni2 -","- C153 H74 B2 Br2 Cl2 F56 N4 Ni2 -","- C612 H296 B8 Br8 Cl8 F224 N16 Ni8 -","4","0.5","","Padilla-Vélez, Omar; O’Connor, Kyle S.; LaPointe, Anne M.; MacMillan, Samantha N.; Coates, Geoffrey W.","Switchable living nickel(ii) α-diimine catalyst for ethylene polymerisation","Chemical Communications","2019","","","","","10.1039/C9CC03154E","","x-ray","1.54184","CuKα","","0.0698","0.0673","","","0.1829","0.1855","","","","","","1.098","","","","has coordinates,has disorder","215985","2020-10-21","18:00:00",""
"7124105","11.8611","0.0019","14.803","0.002","33.715","0.004","90","","90","","90","","5919.7","1.4","150","2","150","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C30 H40 Cl2 N2 O Ru -","- C30 H40 Cl2 N2 O Ru -","- C240 H320 Cl16 N16 O8 Ru8 -","8","1","","Kamal, Fadwa; Colombel-Rouen, Sophie; DUMAS, Adrien; Guegan, Jean Paul; Roisnel, Thierry; Dorcet, Vincent; Basle, Olivier; Rouen, Mathieu; Mauduit, Marc","Activation of olefin metathesis complexes containing unsymmetrical unsaturated N-heterocyclic carbenes by copper and gold transmetalation","Chemical Communications","2019","","","","","10.1039/C9CC05776E","","x-ray","0.71073","MoKα","","0.0429","0.0373","","","0.0879","0.0903","","","","","","1.143","","","","has coordinates","217926","2020-10-21","18:00:00",""
"7124448","23.9255","0.0013","7.4483","0.0007","18.7126","0.0011","90","","90","","90","","3334.7","0.4","293","2","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H26 Cl2 N8 O6 Pd2 -","- C29 H26 Cl2 N8 O6 Pd2 -","- C116 H104 Cl8 N32 O24 Pd8 -","4","0.5","","Mao, Yang-Jie; Luo, Gen; Hao, Hong-Yan; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Anion Ligand Promoted Selective C-F Bond Reductive Elimination Enables C(sp2)-H Fluorination","Chemical Communications","2019","","","","","10.1039/C9CC07726J","","","0.71073","MoKα","","0.0823","0.0598","","","0.148","0.1668","","","","","","1.057","","","","has coordinates","223387","2020-10-21","18:00:00",""
"7124534","12.5861","0.0012","13.0814","0.0012","32.104","0.003","90","","90","","90","","5285.7","0.9","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H20 Cl Cu3 I2 N3 O6 Sb -","- C19 H20 Cl Cu3 I2 N3 O6 Sb -","- C152 H160 Cl8 Cu24 I16 N24 O48 Sb8 -","8","1","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.0439","0.0342","","","0.0791","0.0842","","","","","","1.009","","","","has coordinates","231184","2020-10-21","18:00:00",""
"7124542","39.4032","0.0008","10.2963","0.0002","23.4609","0.0005","90","","90","","90","","9518.3","0.3","180","","180","","","","101","","","","","4","P b c n","-P 2n 2ab","60","","","","- C45 H58 O13.08 S4 -","- C45 H58.081 O13.081 S4 -","- C360 H464.648 O104.648 S32 -","8","1","","Landovský, Tomáš; Eigner, Václav; Babor, Martin; Tichotová, Markéta; Dvořáková, Hana; Lhoták, Pavel","Regioselective S<sub>N</sub>Ar reaction of the phenoxathiin-based thiacalixarene as a route to a novel macrocyclic skeleton.","Chemical communications (Cambridge, England)","2019","56","1","78","81","10.1039/c9cc08335a","","","1.54178","CuKα","","0.0465","0.0458","","0.0959","0.0958","0.0959","","","","","","0.9984","","","","has coordinates,has disorder","247571","2020-10-21","18:00:00",""
"7124652","30.337","0.003","7.7017","0.0006","19.3533","0.0017","90","","90","","90","","4521.8","0.7","193","2","193","2","","","","","","","synthesis as described","8","P b c n","-P 2n 2ab","60","","","","- C18 H21 B F6 N O4 P S2 -","- C18 H21 B F6 N O4 P S2 -","- C144 H168 B8 F48 N8 O32 P8 S16 -","8","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.1046","0.0517","","","0.1256","0.1524","","","","","","1.03","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124759","31.58","0.006","18.296","0.004","20.075","0.004","90","","90","","90","","11599","4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C110 H60 N2 O2 -","- C110 H60.0002 N1.9998 O2 -","- C440.001 H240.001 N7.9992 O8 -","4","0.5","","Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.","Endohedrally functionalised porous organic cages.","Chemical communications (Cambridge, England)","2016","52","57","8850","8853","10.1039/c6cc04423a","","","0.71073","Synchrotron","","0.1068","0.0942","","","0.2643","0.2764","","","","","","1.084","","","","has coordinates,has disorder","234200","2020-10-21","18:00:00",""
"7124792","22.8332","0.0004","9.84289","0.00014","16.7747","0.0003","90","","90","","90","","3770.02","0.11","120","0.12","120","0.12","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ethyl (1R*,2R*,5S*,6R*,7S*)-3-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-(prop-2-en-1-yl)-10-oxa-3-azatricyclo[5.2.1.0^1^,5]dec-8-ene-6-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0484","0.0419","","","0.1085","0.114","","","","","","1.025","","","","has coordinates,has disorder","234232","2020-10-21","18:00:00",""
"7125112","12.89","0.003","9.6595","0.0019","16.653","0.003","90","","90","","90","","2073.5","0.7","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H60 B2 N2 -","- C50 H60 B2 N2 -","- C100 H120 B4 N4 -","2","0.25","","Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P.","A boron-centered radical: a potassium-crown ether stabilized boryl radical anion.","Chemical communications (Cambridge, England)","2016","52","86","12714","12716","10.1039/c6cc06918e","","","0.71073","MoKα","","0.0544","0.0458","","","0.1134","0.1189","","","","","","1.066","","","","has coordinates","234525","2020-10-21","18:00:00",""
"7125161","19.8237","0.0003","19.6671","0.0003","32.4878","0.0003","90","","90","","90","","12666.2","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H144 N8 Na8 -","- C128 H144 N8 Na8 -","- C512 H576 N32 Na32 -","4","0.5","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0626","0.0526","","","0.14","0.1484","","","","","","1.033","","","","has coordinates,has disorder","234563","2020-10-21","18:00:00",""
"7125322","16.708","0.0008","22.4099","0.0011","16.7415","0.0008","90","","90","","90","","6268.4","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cis-[PtMe2[PTB]2][NEt4]2","","- C66 H80 B2 N2 P2 Pt -","- C66 H80 B2 N2 P2 Pt -","- C264 H320 B8 N8 P8 Pt4 -","4","0.5","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.1027","0.0735","","","0.153","0.163","","","","","","1.085","","","","has coordinates,has disorder","236762","2020-10-21","18:00:00",""
"7125350","16.65","0.005","16.667","0.005","15.809","0.005","90","","90","","90","","4387","2","333","2","333","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Cd Cl N9 P -","- C14 H19 Cd Cl N9 P -","- C112 H152 Cd8 Cl8 N72 P8 -","8","1","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.1663","0.1289","","","0.3511","0.3685","","","","","","0.719","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125671","14.8474","0.0005","30.043","0.0015","26.3798","0.0006","90","","90","","90","","11767","0.8","173","0.1","173","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H23 Br I N O3 S -","- C28 H23 Br I N O3 S -","- C448 H368 Br16 I16 N16 O48 S16 -","16","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","","0.71073","MoKα","","0.1245","0.0609","","","0.0829","0.1049","","","","","","0.978","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125960","14.844","0.008","9.534","0.005","16.867","0.008","90","","90","","90","","2387","2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H32 N4 -","- C26 H32 N4 -","- C104 H128 N16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.1364","0.0712","","","0.1479","0.1747","","","","","","1.029","","","","has coordinates","250157","2020-10-21","18:00:00",""
"7126098","32.651","0.006","17.14","0.003","23.603","0.004","90","","90","","90","","13209","4","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C472 H640 Ce8 F48 N48 O40 Rb8 -","4","0.5","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0648","0.0409","","","0.0988","0.1101","","","","","","1.029","","","","has coordinates","251581","2020-10-21","18:00:00",""
"7126194","9.8581","0.0004","18.755","0.0008","14.3424","0.0006","90","","90","","90","","2651.75","0.19","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0543","0.0224","","","0.039","0.0455","","","","","","0.993","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126204","29.056","0.006","9.526","0.002","33.069","0.008","90","","90","","90","","9153","3","296","2","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H26 Br Cl2 N2 O2 Rh -","- C20 H26 Br Cl2 N2 O2 Rh -","- C320 H416 Br16 Cl32 N32 O32 Rh16 -","16","2","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1615","0.0935","","","0.1352","0.1588","","","","","","1.102","","","","has coordinates","295359","2024-10-08","18:26:31",""
"7126266","28.1272","0.0004","9.04947","0.00013","14.7304","0.0002","90","","90","","90","","3749.42","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 F6 N2 O2 -","- C22 H16 F6 N2 O2 -","- C176 H128 F48 N16 O16 -","8","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0389","0.0343","","","0.0907","0.0942","","","","","","1.03","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126577","34.65","0.004","4.9196","0.0005","12.0074","0.0014","90","","90","","90","","2046.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H24 N4 O2 S2 Se2 -","- C14 H24 N4 O2 S2 Se2 -","- C56 H96 N16 O8 S8 Se8 -","4","0.5","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0773","0.0556","","","0.1362","0.1461","","","","","","1.141","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126607","18.0508","0.0007","17.7526","0.0007","24.8923","0.0009","90","","90","","90","","7976.7","0.5","120","2","120.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C264 H300 Cl16 Cu16 N48 O118 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0869","0.0608","","","0.143","0.1605","","","","","","1.045","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126713","14.6058","0.0007","14.6784","0.0007","30.7441","0.0013","90","","90","","90","","6591.2","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6","","- C42 H48 Co N -","- C42 H48 Co N -","- C336 H384 Co8 N8 -","8","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.0978","0.0474","","","0.0984","0.1189","","","","","","0.962","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7127016","16.0517","0.0003","12.69","0.0002","11.0788","0.0002","90","","90","","90","","2256.71","0.07","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C7 H13 Ni1.5 S4 -","- C7 H13 Ni1.5 S4 -","- C56 H104 Ni12 S32 -","8","1","","Pieri, Cyril; Bhattacharjee, Anirban; Barrozo, Alexandre; Faure, Bruno; Giorgi, Michel; Fize, Jennifer; Réglier, Marius; Field, Martin; Orio, Maylis; Artero, Vincent; Hardré, Renaud","Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex.","Chemical communications (Cambridge, England)","2020","56","75","11106","11109","10.1039/d0cc04174b","","x-ray","0.71073","MoKα","","0.0371","0.0262","","","0.0483","0.0531","","","","","","1.049","","","","has coordinates","257253","2020-10-21","18:00:00",""
"7127593","18.7002","0.0003","11.2416","0.0002","17.3895","0.0003","90","","90","","90","","3655.62","0.11","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H56 As2 Ti -","- C40 H56 As2 Ti -","- C160 H224 As8 Ti4 -","4","0.5","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","1.54178","CuKα","","0.0247","0.0235","","","0.0628","0.0644","","","","","","1.033","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127802","27.083","0.003","8.0051","0.001","15.9067","0.0019","90","","90","","90","","3448.6","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dDTCB","","- C36 H12 B2 F18 S4 -","- C36 H12 B2 F18 S4 -","- C144 H48 B8 F72 S16 -","4","0.5","","Adachi, Yohei; Nomura, Takanori; Tazuhara, Shion; Naito, Hiroyoshi; Ohshita, Joji","Thiophene-based twisted bistricyclic aromatic ene with tricoordinate boron: a new n-type semiconductor.","Chemical communications (Cambridge, England)","2021","57","11","1316","1319","10.1039/d0cc07952a","","","0.71073","MoKa","","0.0473","0.0402","","","0.0954","0.0995","","","","","","1.118","","","","has coordinates","262513","2021-03-05","01:24:11",""
"7127882","17.5863","0.0007","5.6213","0.0002","11.9738","0.0005","90","","90","","90","","1183.7","0.08","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H18 B2 N2 -","- C10 H18 B2 N2 -","- C40 H72 B8 N8 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0474","0.0385","","","0.1","0.106","","","","","","1.08","","","","has coordinates","263662","2021-04-05","14:05:43",""
"7127888","20.8512","0.0003","21.3528","0.0003","18.4332","0.0003","90","","90","","90","","8207","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C110 H134 B8 Co16 N8 O48 Si8 -","- C110 H134 B8 Co16 N8 O48 Si8 -","- C220 H268 B16 Co32 N16 O96 Si16 -","2","0.25","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0634","0.0575","","","0.1396","0.1417","","","","","","1.349","","","","has coordinates,has disorder","263662","2021-04-05","14:05:54",""
"7127895","17.8208","0.0016","7.0277","0.0007","19.5682","0.0018","90","","90","","90","","2450.7","0.4","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H12 Br Cl O2 -","- C12 H12 Br Cl O2 -","- C96 H96 Br8 Cl8 O16 -","8","1","","Yoshida, Yasushi; Ishikawa, Seitaro; Mino, Takashi; Sakamoto, Masami","Bromonium salts: diaryl-λ<sup>3</sup>-bromanes as halogen-bonding organocatalysts.","Chemical communications (Cambridge, England)","2021","57","20","2519","2522","10.1039/d0cc07733j","","","1.54178","CuKα","","0.0281","0.0277","","","0.0743","0.0748","","","","","","1.053","","","","has coordinates","263646","2021-04-05","14:01:46",""
"7127970","36.6282","0.0018","10.3484","0.0005","16.3466","0.0008","90","","90","","90","","6196.1","0.5","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(MeSiP2)Co(CO)(PMe3)","","- C29 H48 Co O P3 Si -","- C29 H48 Co O P3 Si -","- C232 H384 Co8 O8 P24 Si8 -","8","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0993","0.0565","","","0.1487","0.1849","","","","","","0.802","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7127973","36.682","0.007","10.328","0.002","16.385","0.003","90","","90","","90","","6207","2","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(MeSiP2)Co(N2)(PMe3)","","- C28 H48 Co N2 P3 Si -","- C28 H48 Co N2 P3 Si -","- C224 H384 Co8 N16 P24 Si8 -","8","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0405","0.0356","","","0.0802","0.0831","","","","","","1.128","","","","has coordinates,has disorder","263630","2021-04-05","13:56:45",""
"7128142","27.2386","0.0012","44.912","0.0015","25.7433","0.0013","90","","90","","90","","31493","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C238 H277 Au29 Cd2 Fe2 P4 S17 -","- C238 H277 Au29 Cd2 Fe2 P4 S17 -","- C952 H1108 Au116 Cd8 Fe8 P16 S68 -","4","0.5","","Li, Tianrong; Li, Qinzhen; Yang, Sha; Xu, Liyun; Chai, Jinsong; Li, Peng; Zhu, Manzhou","Surface engineering of linearly fused Au<sub>13</sub> units using diphosphine and Cd doping.","Chemical communications (Cambridge, England)","2021","57","38","4682","4685","10.1039/d1cc00577d","","","1.54186","CuKα","","0.0746","0.0582","","","0.1431","0.15","","","","","","1.051","","","","has coordinates,has disorder","265902","2021-06-05","17:33:27",""
"7128420","20.7377","0.0003","8.8852","0.0002","19.6895","0.0003","90","","90","","90","","3627.96","0.11","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate bis-nitromethane solvate","","- C28 H30 B2 F8 Fe N14 O6 -","- C28 H30 B2 F8 Fe N14 O6 -","- C112 H120 B8 F32 Fe4 N56 O24 -","4","0.5","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0408","0.0343","","","0.0838","0.0874","","","","","","1.022","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128424","20.7926","0.0004","8.837","0.0003","20.0553","0.0005","90","","90","","90","","3685.05","0.17","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate bis-nitromethane solvate","","- C28 H30 Cl2 Fe N14 O14 -","- C28 H30 Cl2 Fe N14 O14 -","- C112 H120 Cl8 Fe4 N56 O56 -","4","0.5","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0465","0.0383","","","0.0971","0.1036","","","","","","1.03","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128879","15.4942","0.0008","12.4379","0.0008","25.9022","0.0017","90","","90","","90","","4991.8","0.5","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H44 B2 F4 N4 O2 -","- C50 H44 B2 F4 N4 O2 -","- C200 H176 B8 F16 N16 O8 -","4","0.5","","Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan","FeCl<sub>3</sub>-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions.","Chemical communications (Cambridge, England)","2021","57","77","9886","9889","10.1039/d1cc04098g","","","0.71073","MoKα","","0.1135","0.0846","","","0.2539","0.2974","","","","","","1.103","","","","has coordinates","269629","2021-10-06","13:50:32",""
"7128880","15.1048","0.0005","12.2629","0.0004","18.3629","0.0006","90","","90","","90","","3401.34","0.19","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H30 B2 Cl2 F4 N4 -","- C36 H30 B2 Cl2 F4 N4 -","- C144 H120 B8 Cl8 F16 N16 -","4","0.5","","Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan","FeCl<sub>3</sub>-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions.","Chemical communications (Cambridge, England)","2021","57","77","9886","9889","10.1039/d1cc04098g","","","0.71073","MoKα","","0.0892","0.0713","","","0.1365","0.1492","","","","","","1.11","","","","has coordinates","269629","2021-10-06","13:50:33",""
"7128990","14.9422","0.0017","14.9487","0.0017","13.7186","0.0016","90","","90","","90","","3064.3","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 N3 Ni O4 S -","- C15 H15 N3 Ni O4 S -","- C120 H120 N24 Ni8 O32 S8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.0323","0.0278","","","0.0651","0.0665","","","","","","1.05","","","","has coordinates,has disorder","270375","2021-11-06","18:52:23",""
"7128996","15.0116","0.0007","15.0137","0.0009","13.9214","0.0008","90","","90","","90","","3137.6","0.3","300","2","300","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 N3 O4 S Zn -","- C15 H15 N3 O4 S Zn -","- C120 H120 N24 O32 S8 Zn8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0592","0.05","","","0.1329","0.1396","","","","","","1.074","","","","has coordinates,has disorder","270375","2021-11-06","18:52:25",""
"7128998","19.5284","0.001","7.3377","0.0004","34.2044","0.0017","90","","90","","90","","4901.3","0.4","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H31 N3 O5 S -","- C23 H31 N3 O5 S -","- C184 H248 N24 O40 S8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0527","0.046","","","0.1212","0.1246","","","","","","1.108","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7129391","22.3717","0.0018","12.7201","0.001","10.8086","0.0008","90","","90","","90","","3075.8","0.4","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H15 F7 I2 N2 O6 S2 -","- C24 H15 F7 I2 N2 O6 S2 -","- C96 H60 F28 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel Adam; Sun, Jiyu; Berryman, Orion","Halogen Bonding Organocatalysis Enhanced through Intramolecular Hydrogen Bonds","Chemical Communications","2022","","","","","10.1039/D1CC05475A","","x-ray","0.71073","MoKα","","0.0545","0.0389","","","0.0911","0.0994","","","","","","1.127","","","","has coordinates","271478","2021-12-16","22:54:30",""
"7129400","25.9","0.1","13.99","0.05","16.6","0.06","90","","90","","90","","6015","4","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H64 Cl4 N6 O6 Zn -","- C64 H64 Cl4 N6 O6 Zn -","- C256 H256 Cl16 N24 O24 Zn4 -","4","0.5","","Dastidar, Parthasarathi; Biswas, Protap; Datta, Hemanta Kumar","Multi-NSAIDs Based Zn(II) Coordination Complex Derived Metallogelators/Metallogels as Plausible Multi-drug Self-delivery Systems","Chemical Communications","2022","","","","","10.1039/D1CC05334E","","","0.71073","MoKα","","0.2528","0.0892","","","0.1742","0.2438","","","","","","0.969","","","","has coordinates","271482","2021-12-16","22:57:16",""
"7129500","12.2766","0.0007","17.6234","0.001","17.1711","0.001","90","","90","","90","","3715.1","0.4","149.99","","149.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H31 B3 Cl8 N6 -","- C32 H31 B3 Cl8 N6 -","- C128 H124 B12 Cl32 N24 -","4","0.5","","Thompson, Brena L.; Kieffer, Ian A.; Heiden, Zachariah M.","Utilization of BODIPY-based redox events to manipulate the Lewis acidity of fluorescent boranes","Chemical Communications","2022","","","","","10.1039/D1CC06400B","","","0.71073","MoKα","","0.0537","0.0424","","","0.0964","0.1058","","","","","","1.052","","","","has coordinates","271796","2022-01-04","22:58:02",""
"7129517","10.68","0.002","12.393","0.003","37.712","0.008","90","","90","","90","","4991.5","1.9","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C63 H61 N5 O2 -","- C63 H61 N5 O2 -","- C252 H244 N20 O8 -","4","0.5","","Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung","Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer","Chemical Communications","2022","","","","","10.1039/D1CC06569F","","","0.7","synchrotron","","0.0615","0.0557","","","0.1534","0.1576","","","","","","1.073","","","","has coordinates","271943","2022-01-07","22:52:06",""
"7129621","28.8693","0.0006","22.9629","0.0004","19.7457","0.0003","90","","90","","90","","13089.9","0.4","100","0.13","100","0.13","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H44 B12 I12 N6 Na2 O7 -","- C18 H44 B12 I12 N6 Na2 O7 -","- C144 H352 B96 I96 N48 Na16 O56 -","8","1","","Hollow, Sophia E.; Johnstone, Timothy C.","Encapsulation of closo-dodecaiodododecaborate in 2-hydroxypropyl-γ-cyclodextrin prevents hemolysis","Chemical Communications","2022","","","","","10.1039/D1CC06348K","","x-ray","0.71073","MoKα","","0.0767","0.0589","","","0.1497","0.1659","","","","","","1.119","","","","has coordinates,has disorder","272253","2022-01-26","22:49:37",""
"7129763","19.167","0.002","14.1542","0.0017","39.176","0.005","90","","90","","90","","10628","2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H43 B N2 -","- C28 H43 B N2 -","- C448 H688 B16 N32 -","16","2","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0902","0.0644","","","0.1465","0.1612","","","","","","1.145","","","","has coordinates","273192","2022-03-01","22:56:58",""
"7129771","21.2905","0.001","7.6279","0.0004","17.5124","0.0008","90","","90","","90","","2844","0.2","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H32 N2 S4 Zn -","- C30 H32 N2 S4 Zn -","- C120 H128 N8 S16 Zn4 -","4","0.5","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0742","0.0408","","","0.0821","0.0935","","","","","","1.022","","","","has coordinates","273209","2022-03-02","22:53:36",""
"7129849","20.186","0.0015","7.3066","0.0006","20.4874","0.0017","90","","90","","90","","3021.7","0.4","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C168 H128 O16 -","8","1","","Grzybowski, Marek; Morawski, Olaf; Nowak, Krzysztof; Garbacz, Paula","Fluorene analogues of xanthenes – low molecular weight near-infrared dyes","Chemical Communications","2022","","","","","10.1039/D2CC00561A","","","1.54178","CuKα","","0.1656","0.0684","","","0.1489","0.1707","","","","","","0.993","","","","has coordinates","273703","2022-03-15","23:00:10",""
"7130182","14.5391","0.0013","14.2888","0.0013","12.0108","0.0012","90","","90","","90","","2495.2","0.4","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O Te0.5 -","- C14 H9 Cl2 N O Te0.5 -","- C112 H72 Cl16 N8 O8 Te4 -","8","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0417","0.0334","","","0.0779","0.0833","","","","","","1.105","","","","has coordinates","275722","2022-06-01","22:00:13",""
"7130183","20.3555","0.0001","23.0087","0.0001","18.3408","0.0001","90","","90","","90","","8589.98","0.07","150","0.1","150","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H67 Al K N2 O Si2 -","- C40 H67 Al K N2 O Si2 -","- C320 H536 Al8 K8 N16 O8 Si16 -","8","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0471","0.0443","","","0.126","0.1289","","","","","","1.022","","","","has coordinates,has disorder","275723","2022-06-01","22:02:17",""
"7130386","18.3096","0.0001","26.0399","0.0003","27.5573","0.0003","90","","90","","90","","13138.8","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H33 Al2 B F30 N3 O2 -","- C59 H33 Al2 B F30 N3 O2 -","- C472 H264 Al16 B8 F240 N24 O16 -","8","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.1268","0.1077","","","0.3191","0.3396","","","","","","1.01","","","","has coordinates","276909","2022-07-23","22:06:07",""
"7130457","23.575","0.003","25.656","0.003","21.546","0.004","90","","90","","90","","13032","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Galia77b (Pritam)","","","- C98 H141 Cl8 Cu4 N27 O59 -","- C98 H141 Cl8 Cu4 N27 O59 -","- C392 H564 Cl32 Cu16 N108 O236 -","4","0.5","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1604","0.0688","","","0.1571","0.2075","","","","","","1.025","","","","has coordinates,has disorder","277040","2022-08-02","21:53:32",""
"7131484","26.084","0.007","17.067","0.005","11.802","0.003","90","","90","","90","","5254","2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H25 N5 O -","- C27 H25 N5 O -","- C216 H200 N40 O8 -","8","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.104","0.0635","","","0.1619","0.1826","","","","","","1.031","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131557","23.859","0.005","23.456","0.005","20.743","0.004","90","","90","","90","","11609","4","170","","170","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C57 H61 B Cl F6 O1.75 P5 Pt -","- C57 H61 B Cl F6 O1.75 P5 Pt -","- C456 H488 B8 Cl8 F48 O14 P40 Pt8 -","8","1","","Wehmeyer, Frerk-Ulfert; Langer, Robert","A hampered oxidative addition of pre-coordinated pincer ligands can favour alternative pathways of activation.","Chemical communications (Cambridge, England)","2023","59","40","6004","6007","10.1039/d3cc00874f","","","0.71073","MoKα","","0.0884","0.051","","","0.1246","0.1424","","","","","","1.022","","","","has coordinates,has disorder","284200","2023-06-05","03:45:55",""
"7131900","21.861","0.006","6.7837","0.0016","7.501","0.002","90","","90","","90","","1112.4","0.5","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","orthorhombic","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","","Rastogi, Gaurav K.; Deb, Mohit L.; Baruah, Pranjal K.","Copper-catalysed dehydrogenative self-coupling/cyclization of 5-aminopyrazoles: synthesis and photophysical study of pyridazines.","Chemical communications (Cambridge, England)","2023","59","63","9642","9645","10.1039/d3cc02424e","","","0.71073","MoKα","","0.1356","0.0835","","","0.208","0.2484","","","","","","1.113","","","","has coordinates","285462","2023-08-05","08:39:11",""
"7132318","15.5366","0.0007","9.305","0.0003","19.6476","0.0008","90","","90","","90","","2840.4","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.39 H16.49 Cl0.3 N2 O3 S -","- C11.392 H16.48 Cl0.304 N2 O3 S -","- C91.136 H131.84 Cl2.432 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","1.54178","CuKα","","0.0959","0.0862","","","0.2662","0.2777","","","","","","1.125","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132320","15.2433","0.0008","9.3138","0.0005","19.5618","0.0011","90","","90","","90","","2777.2","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.18 H15.96 Cl0.41 N2 O3 S -","- C11.16 H15.9 Cl0.42 N2 O3 S -","- C89.28 H127.2 Cl3.36 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.146","0.1048","","","0.2836","0.3244","","","","","","1.138","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132322","15.1745","0.0011","9.3155","0.0005","19.524","0.0012","90","","90","","90","","2759.9","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.07 H15.66 Cl0.47 N2 O3 S -","- C11.062 H15.655 Cl0.469 N2 O3 S -","- C88.496 H125.24 Cl3.752 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.1423","0.0937","","","0.2588","0.3051","","","","","","1.126","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132323","15.2556","0.0011","9.3161","0.0007","19.559","0.0015","90","","90","","90","","2779.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.32 H16.31 Cl0.34 N2 O3 S -","- C11.31 H16.275 Cl0.345 N2 O3 S -","- C90.48 H130.2 Cl2.76 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.1733","0.1098","","","0.2811","0.339","","","","","","1.116","","","","has coordinates,has disorder","287522","2023-11-10","23:08:31",""
"7132324","14.9416","0.0004","9.3109","0.0003","19.393","0.0006","90","","90","","90","","2697.95","0.14","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C10.61 H14.52 Cl0.7 N2 O3 S -","- C10.608 H14.52 Cl0.696 N2 O3 S -","- C84.864 H116.16 Cl5.568 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","1.54178","CuKα","","0.0944","0.0763","","","0.2286","0.2525","","","","","","1.087","","","","has coordinates,has disorder","287522","2023-11-10","23:08:31",""
"7132392","14.32746","0.00007","12.45283","0.00005","34.81445","0.00013","90","","90","","90","","6211.5","0.05","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H41.5 Cu N5.5 -","- C35 H41.5 Cu N5.5 -","- C280 H332 Cu8 N44 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0319","0.0311","","","0.0836","0.0843","","","","","","1.039","","","","has coordinates,has disorder","289348","2024-02-04","11:10:46",""
"7132546","18.3295","0.0003","10.5061","0.0002","18.8191","0.0003","90","","90","","90","","3624.02","0.11","300.49","0.1","300.49","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H16 Br N O2 S2 -","- C18 H16 Br N O2 S2 -","- C144 H128 Br8 N8 O16 S16 -","8","1","","Chen, Xi; Li, Rui-Peng; Long, Peng; Tang, Yuxi; Li, Jia; Tang, Shouchu","Indium-catalyzed inter- and intramolecular dithianyl-alkyne metathesis reactions.","Chemical communications (Cambridge, England)","2024","60","10","1285","1288","10.1039/d3cc05622h","","x-ray","1.54184","CuKα","","0.0472","0.0435","","","0.1201","0.1231","","","","","","1.077","","","","has coordinates","289317","2024-02-04","10:59:55",""
"7132621","12.655","0.003","15.538","0.003","17.066","0.003","90","","90","","90","","3355.7","1.2","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 N8 Ni O4 -","- C36 H26 N8 Ni O4 -","- C144 H104 N32 Ni4 O16 -","4","0.5","","Nogita, Kohei; Sugahara, Takaya; Miki, Koji; Mu, Huiying; Kobayashi, Minoru; Harada, Hiroshi; Ohe, Kouichi","A reductively convertible nickel phthalocyanine precursor as a biological thiol-responsive turn-on photoacoustic contrast agent.","Chemical communications (Cambridge, England)","2024","60","11","1472","1475","10.1039/d3cc05628g","","","0.71075","MoKα","","0.0716","0.062","","","0.1136","0.1177","","","","","","1.006","","","","has coordinates","289383","2024-02-04","11:22:59",""
"7132677","26.264","0.002","9.4519","0.0008","18.6059","0.0014","90","","90","","90","","4618.8","0.6","293","2","293.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H24 N4 O -","- C27 H24 N4 O -","- C216 H192 N32 O8 -","8","1","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","x-ray","0.71073","MoKα","","0.1108","0.0606","","","0.1332","0.1528","","","","","","1.006","","","","has coordinates","290081","2024-03-04","19:47:51",""
"7132939","16.0032","0.0013","18.7417","0.0015","24.3011","0.0019","90","","90","","90","","7288.6","1","93.15","","93.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H108 N2 S2 Sm -","- C84 H108 N2 S2 Sm -","- C336 H432 N8 S8 Sm4 -","4","0.5","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0556","0.0433","","","0.0978","0.1027","","","","","","1.146","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132940","15.9566","0.0015","18.7918","0.0017","24.254","0.002","90","","90","","90","","7272.6","1.1","93.15","","93.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H108 N2 Nd S2 -","- C84 H108 N2 Nd S2 -","- C336 H432 N8 Nd4 S8 -","4","0.5","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0645","0.0397","","","0.0969","0.1098","","","","","","1.027","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7133065","14.371","0.0003","13.8231","0.0003","14.8033","0.0003","90","","90","","90","","2940.7","0.11","222.99","0.1","222.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H20 O25.75 Tc U4 -","- C8 H20 O25.75 Tc U4 -","- C32 H80 O103 Tc4 U16 -","4","0.5","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","1.54184","CuKα","","0.0408","0.0383","","","0.0992","0.1013","","","","","","1.066","","","","has coordinates","292828","2024-07-05","13:37:20",""
"7133200","16.652","0.003","14.997","0.002","21.13","0.003","90","","90","","90","","5276.8","1.4","296","1","296","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H19 Cl F6 N2 O4 -","- C26 H19 Cl F6 N2 O4 -","- C208 H152 Cl8 F48 N16 O32 -","8","1","","Tang, Yong-Xing; Zhou, You; Wu, Hao-Xuan; Wang, Li-Sheng; Wu, Chun-Yan; Zhuang, Shi-Yi; Wu, An-Xin","<i>N</i>-Benzylhydroxylamine as a novel synthetic block in ""C1N1"" embedding reaction <i>via</i> α-C(sp<sup>3</sup>)-H activation strategy.","Chemical communications (Cambridge, England)","2024","60","56","7180","7183","10.1039/d4cc02105c","","","0.71073","MoKα","","0.0825","0.0611","","","0.1581","0.1894","","","","","","1.051","","","","has coordinates,has disorder","293685","2024-08-05","17:22:58",""
"7133574","15.467","0.003","6.7622","0.0007","20.528","0.002","90","","90","","90","","2147","0.5","193","","193","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H4 N10 O4 -","- C7 H4 N10 O4 -","- C56 H32 N80 O32 -","8","1","","Yang, Pengju; Zheng, Xiaoxiao; Zhang, Guojie; Lei, Caijing; Cheng, Guangbin; Yang, Hongwei","Construction of heterocycle-triazolotriazine framework energetic compounds: towards novel high-performance explosives.","Chemical communications (Cambridge, England)","2024","60","76","10588","10591","10.1039/d4cc03260h","","","1.54178","CuKα","","0.0578","0.046","","","0.1166","0.1266","","","","","","1.033","","","","has coordinates","295120","2024-10-06","05:36:46",""
"7133587","15.9412","0.0006","10.4632","0.0004","13.6006","0.0005","90","","90","","90","","2268.53","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","tris(3,5-diemthylphenyl)bimuth dichloride","","- C24 H27 Bi Cl2 -","- C24 H27 Bi Cl2 -","- C96 H108 Bi4 Cl8 -","4","0.5","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0338","0.0163","","","0.0291","0.033","","","","","","1.013","","","","has coordinates","295116","2024-10-06","05:30:03",""
"7133596","25.1156","0.0004","18.2987","0.0002","24.195","0.0003","90","","90","","90","","11119.6","0.3","123","0.2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H97 N3 O3.5 Si2 Sn -","- C58 H97 N3 O3.5 Si2 Sn -","- C464 H776 N24 O28 Si16 Sn8 -","8","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0667","0.0533","","","0.1398","0.1523","","","","","","1.049","","","","has coordinates,has disorder","295124","2024-10-06","05:45:20",""
"7134029","33.896","0.003","12.289","0.001","16.7731","0.0015","90","","90","","90","","6986.8","1","298","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H34 O4 -","- C46 H34 O4 -","- C368 H272 O32 -","8","1","","Goel, Komal; Gedu, Satyanarayana","A Rapid Pathway to Molecular Complexity: Palladium-Catalyzed Six-Fold Domino Process to Access Polycyclic Frameworks**","Chemical Communications","2024","","","","","10.1039/D4CC05380J","","","0.71073","MoKα","","0.1293","0.0692","","","0.1566","0.1864","","","","","","1.039","","","","has coordinates,has disorder","296179","2024-12-02","22:53:11",""
"7150158","22.385","0.006","16.653","0.004","7.093","0.004","90","","90","","90","","2644.1","1.8","293","","293","","","","","","","","?","6","P b c n","-P 2n 2ab","60","potassium salt of bis (N- (trifluoromethylsulfonylimino))trifluoro-methanesulfonic acid","potassium salt of bis [N-(trifluoromethylsulfonylimino)]trifluoro- methanesulfonic acid","","- C3 F9 K N2 O5 S3 -","- C3 F9 K N2 O5 S3 -","- C24 F72 K8 N16 O40 S24 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1687","0.0674","","0.0831","0.0649","0.0649","","","","","","1.1658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150206","23.3906","0.0005","11.4829","0.0002","23.2945","0.0006","90","","90","","90","","6256.7","0.2","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 Fe N6 O5 P2 -","- C66 H62 F12 Fe N6 O5 P2 -","- C264 H248 F48 Fe4 N24 O20 P8 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1491","0.0751","","","0.1913","0.2337","","","","","","1.021","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150207","23.1733","0.0003","11.9603","0.0001","22.8083","0.0003","90","","90","","90","","6321.54","0.13","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 N6 O5 P2 Ru -","- C66 H62 F12 N6 O5 P2 Ru -","- C264 H248 F48 N24 O20 P8 Ru4 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1664","0.1893","","","","","","1.044","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150282","25.1991","0.0004","8.6736","0.0002","12.6158","0.0002","90","","90","","90","","2757.4","0.09","150","","150","","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.0612","0.0337","","0.0596","0.0381","0.0381","","","","","","1.1219","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150462","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","","","","- C30 H21 N5 O6 -","- C30 H21 N5 O6 -","- C360 H252 N60 O72 -","12","1.5","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150489","9.117","0.002","14.433","0.004","19.312","0.006","90","","90","","90","","2541.2","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene 2,2'-biphenyldicarboxylic acid co-crystal","","- C30 H24 N4 O4 -","- C30 H24 N4 O4 -","- C120 H96 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1369","0.0398","","","0.0977","0.1129","","","","","","0.981","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150606","21.423","0.0005","10.0153","0.0003","7.9227","0.0003","90","","90","","90","","1699.88","0.09","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1003","0.0698","","","0.1673","0.1879","","","","","","1.062","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150608","21.4777","0.0006","10.0334","0.0003","7.525","0.0003","90","","90","","90","","1621.6","0.09","160","1","160","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.07","0.0503","","","0.1249","0.1365","","","","","","1.039","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7151034","8.8975","0.0005","12.1847","0.0007","24.8677","0.0013","90","","90","","90","","2696","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O -","- C18 H18 O -","- C144 H144 O8 -","8","1","","Iqbal, Mazhar; Duffy, Patricia; Evans, Paul; Cloughley, George; Allan, Bernard; Lledó, Agustí; Verdaguer, Xavier; Riera, Antoni","The conjugate addition‒Peterson olefination reaction for the preparation of cross-conjugated cyclopentenone, PPAR-γ ligands","Organic & Biomolecular Chemistry","2008","6","24","4649","4661","10.1039/b814619e","","","0.71073","MoKα","","0.0535","0.0477","","","0.1286","0.1339","","","","","","1.031","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151120","13.7696","0.0005","8.3551","0.0002","20.4951","0.0006","90","","90","","90","","2357.89","0.12","298","","","","","","","","","","Local laboratory","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 F2 O9 -","- C24 H28 F2 O9 -","- C96 H112 F8 O36 -","4","0.5","","Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael","Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.","Organic & biomolecular chemistry","2007","5","15","2464","2471","10.1039/b704472k","","","0.71073","MoKα","","0.1021","0.0595","","","0.1217","0.1389","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151139","14.913","0.003","15.95","0.003","14.25","0.003","90","","90","","90","","3389.5","1.2","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.18","0.0701","","","0.1614","0.2289","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151159","16.5525","0.0003","10.1393","0.0002","14.0826","0.0003","90","","90","","90","","2363.49","0.08","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","3-bromo-4,5,6,7-tetrahydroazepinobenzisothiazole-1,1-dioxide","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C96 H96 Br8 N8 O16 S8 -","8","1","","Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S.","One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams.","Organic & biomolecular chemistry","2007","5","21","3472","3476","10.1039/b708967h","","","0.71073","Mo-Kα","","0.0345","0.0285","","","0.0695","0.0724","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151215","17.213","0.001","14.912","0.0008","15.658","0.0009","90","","90","","90","","4019.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 I3 N O -","- C20 H14 I3 N O -","- C160 H112 I24 N8 O8 -","8","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0603","0.0612","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151252","13.111","0.003","10.123","0.002","14.928","0.003","90","","90","","90","","1981.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","furan recepter","","","- C24 H18 N6 O -","- C24 H18 N6 O -","- C96 H72 N24 O4 -","4","0.5","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.0844","0.0682","","","0.1854","0.1946","","","","","","1.128","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151332","17.0768","0.0012","14.1377","0.001","27.7514","0.0019","90","","90","","90","","6699.9","0.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 N4 Ni O2 -","- C45 H30 N4 Ni O2 -","- C360 H240 N32 Ni8 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0532","0.044","","","0.1026","0.1073","","","","","","1.229","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151333","17.074","0.003","14.209","0.002","27.882","0.004","90","","90","","90","","6764.3","1.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 Cu N4 O2 -","- C45 H30 Cu N4 O2 -","- C360 H240 Cu8 N32 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0926","0.0522","","","0.1065","0.1234","","","","","","1.047","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151968","46.284","0.003","12.2793","0.0007","11.1201","0.0007","90","","90","","90","","6319.9","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O2 P Si -","- C32 H42 N O2 P Si -","- C256 H336 N8 O16 P8 Si8 -","8","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1212","0.0732","","","0.2194","0.2376","","","","","","1.058","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152234","14.6967","0.0005","21.036","0.0007","23.8819","0.0009","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H100 Ag2 F12 O16 P2 -","- C66 H100 Ag2 F12 O16 P2 -","- C264 H400 Ag8 F48 O64 P8 -","4","0.5","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.0705","0.0503","","","0.1358","0.1526","","","","","","1.029","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152330","42.526","0.008","15.758","0.003","16.686","0.003","90","","90","","90","","11182","4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H78 Cl2 O10 -","- C59 H78 Cl2 O10 -","- C472 H624 Cl16 O80 -","8","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1516","0.1193","","","0.2971","0.3259","","","","","","1.096","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152601","7.6851","0.0003","16.8705","0.0005","16.3611","0.0005","90","","90","","90","","2121.24","0.12","123","","123","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C28 H30 O -","- C28 H30 O -","- C112 H120 O4 -","4","0.5","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.051","0.0444","","","0.1234","0.1282","","","","","","1.059","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152904","15.663","0.003","8.2891","0.0017","21.056","0.004","90","","90","","90","","2733.7","0.9","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0889","0.0731","","","0.123","0.1285","","","","","","1.245","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152925","9.7809","0.0003","11.4606","0.0004","20.8757","0.0007","90","","90","","90","","2340.06","0.13","150","1","150","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1395","0.0691","","","0.1759","0.2306","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153432","5.1445","0.0009","14.134","0.002","8.0639","0.0015","90","","90","","90","","586.35","0.17","150","","150","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","0.5","","McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.","Pyrrolizine-1,3-dione.","Organic & biomolecular chemistry","2010","8","19","4383","4387","10.1039/c0ob00116c","","","1.54184","CuKα","","0.0329","0.0325","","","0.0862","0.0866","","","","","","1.07","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153511","15.652","0.003","10.174","0.002","28.07","0.006","90","","90","","90","","4470","1.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H29 N O9 -","- C18 H29 N O9 -","- C144 H232 N8 O72 -","8","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0667","0.0523","","","0.1226","0.131","","","","","","1.071","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153712","23.3123","0.0004","14.7753","0.0002","18.256","0.0003","90","","90","","90","","6288.21","0.17","106","","106","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0375","","","","0.0994","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7154509","21.3422","0.0005","8.1975","0.0002","8.0145","0.0002","90","","90","","90","","1402.16","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Dichloro-3,5-diphenylpyridine","","- C17 H11 Cl2 N -","- C17 H11 Cl2 N -","- C68 H44 Cl8 N4 -","4","0.5","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0269","0.0255","","","0.0683","0.07","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154549","14.8291","0.0004","12.6719","0.0003","21.3493","0.0006","90","","90","","90","","4011.81","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H17 B Br Cl2 F2 N3 O2 -","- C19 H17 B Br F2 N3 O2 -","- C152 H136 B8 Br8 F16 N24 O16 -","8","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.2562","0.2522","","","0.6214","0.6287","","","","","","6.502","","","","has coordinates","153261","2020-10-21","18:00:00",""
"7154826","18.859","0.013","10.647","0.007","8.927","0.006","90","","90","","90","","1792","2","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C64 H96 F32 O8 -","8","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1454","0.1118","","","0.3106","0.3346","","","","","","1.108","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7155036","11.1295","0.0008","11.4081","0.001","12.1912","0.0009","90","","90","","90","","1547.9","0.2","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.0578","0.0417","","","0.0987","0.1038","","","","","","1.011","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155403","13.5987","0.0002","7.2344","0.0001","13.7418","0.0002","90","","90","","90","","1351.9","0.03","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C64 H40 Cl8 N8 O8 -","4","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0287","0.0274","","0.0768","0.0748","0.0761","","","","","","1.0054","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155507","25.356","0.003","6.9395","0.0009","7.4967","0.0011","90","","90","","90","","1319.1","0.3","123.15","","123.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","0.5","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.1037","0.0898","","","0.2118","0.2207","","","","","","1.092","","","","has coordinates","195169","2020-10-21","18:00:00",""
"7155549","13.8048","0.0003","15.2327","0.0003","15.2102","0.0004","90","","90","","90","","3198.47","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.","Organic & biomolecular chemistry","2017","15","17","3638","3647","10.1039/c7ob00367f","","","1.54184","CuKα","","0.0443","0.0385","","","0.1018","0.1066","","","","","","1.054","","","","has coordinates","196505","2020-10-21","18:00:00",""
"7155630","15.81826","0.00015","9.23296","0.0001","8.32936","0.00009","90","","90","","90","","1216.5","0.02","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","0.5","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.038","0.037","","","0.1057","0.1068","","","","","","1.109","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155970","19.2545","0.0011","15.5146","0.001","13.4314","0.0009","90","","90","","90","","4012.3","0.4","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","1","","Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto","Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02545A","","","0.71073","MoKα","","0.1268","0.058","","","0.1431","0.1918","","","","","","1.019","","","","has coordinates","203100","2020-10-21","18:00:00",""
"7156283","12.1505","0.0014","10.471","0.0013","10.2881","0.0014","90","","90","","90","","1308.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 F2 N4 O8 -","- C10 H10 F2 N4 O8 -","- C40 H40 F8 N16 O32 -","4","0.5","","Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun","Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.","Organic & biomolecular chemistry","2018","16","26","4784","4788","10.1039/c8ob01140k","","","0.71073","MoKα","","0.0593","0.0509","","","0.1354","0.142","","","","","","1.067","","","","has coordinates","230699","2020-10-21","18:00:00",""
"7156359","9.1068","0.0005","13.5461","0.0009","26.1677","0.0013","90","","90","","90","","3228.1","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C184 H112 O16 -","8","1","","Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun","Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.","Organic & biomolecular chemistry","2018","16","33","6077","6085","10.1039/c8ob01199k","","x-ray","0.71073","MoKα","","0.0861","0.054","","","0.1203","0.1393","","","","","","1.024","","","","has coordinates","230657","2020-10-21","18:00:00",""
"7156506","8.0308","0.0012","7.8229","0.001","12.8172","0.0018","90","","90","","90","","805.23","0.19","174","2","174","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C24 H24 N32 O8 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0915","0.0485","","","0.0948","0.1114","","","","","","1.043","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156599","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.","Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","2","347","353","10.1039/c8ob02333f","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225139","2020-10-21","18:00:00",""
"7156601","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225142","2020-10-21","18:00:00",""
"7156918","11.9937","0.0005","11.8843","0.0004","30.2028","0.0011","90","","90","","90","","4305","0.3","223","0.1","223","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C208 H192 O32 -","8","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","1.5418","CuKα","","0.0945","0.0611","","","0.1699","0.199","","","","","","1.108","","","","has coordinates,has disorder","225068","2020-10-21","18:00:00",""
"7157529","24.336","0.0011","7.1684","0.0003","16.7513","0.0008","90","","90","","90","","2922.3","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C136 H136 F24 O16 -","8","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0468","0.0369","","","0.0935","0.0989","","","","","","1.039","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157644","17.6367","0.0015","13.5661","0.0012","14.5573","0.0013","90","","90","","90","","3483","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C168 H128 N16 O32 -","8","1","","Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul","<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6537","6548","10.1039/d0ob01304h","","","0.71073","MoKα","","0.0716","0.0559","","","0.1459","0.1644","","","","","","1.18","","","","has coordinates","256169","2020-10-21","18:00:00",""
"7157735","17.1752","0.0002","8.82114","0.00017","24.8611","0.0005","90","","90","","90","","3766.58","0.11","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C160 H208 O44 -","4","0.5","","Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.","Functionalized fluorescent terephthalate monomers and their attempted polyester formation.","Organic & biomolecular chemistry","2020","18","42","8735","8745","10.1039/d0ob01533d","","","1.54184","CuKα","","0.0486","0.0357","","","0.0846","0.0925","","","","","","1.041","","","","has coordinates","258954","2020-11-06","13:08:55",""
"7157812","10.1116","0.0002","12.9234","0.0003","7.4954","0.0001","90","","90","","90","","979.47","0.03","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0296","0.0279","","","0.0788","0.0801","","","","","","1.051","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157910","23.3635","0.0002","9.5879","0.0001","17.6817","0.0002","90","","90","","90","","3960.82","0.07","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","7''-bromo-5'',8''-dimethoxy-[6,6''-bipyrrolo[1,2-a]benzimidazole]-5,8-dione","","- C22 H19 Br N4 O4 -","- C22 H19 Br N4 O4 -","- C176 H152 Br8 N32 O32 -","8","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0434","0.0431","","","0.1161","0.1163","","","","","","1.153","","","","has coordinates,has disorder","263856","2021-04-05","15:20:16",""
"7158011","14.1551","0.0003","9.5932","0.0003","13.369","0.0006","90","","90","","90","","1815.41","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","0.5","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0671","0.0595","","","0.1793","0.186","","","","","","1.098","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158045","11.179","0.003","18.388","0.004","19.517","0.004","90","","90","","90","","4011.9","1.6","110","2","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H20 Cl8 F4 O4 Sb2 -","- C42 H20 Cl8 F4 O4 Sb2 -","- C168 H80 Cl32 F16 O16 Sb8 -","4","0.5","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0296","0.0272","","","0.0662","0.0676","","","","","","1.148","","","","has coordinates","267229","2021-07-05","18:10:56",""
"7158262","36.302","0.008","17.985","0.004","8.873","0.002","90","","90","","90","","5793","2","293","2","293.06","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H32 O -","- C33 H32 O -","- C264 H256 O8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1704","0.0989","","","0.2551","0.3205","","","","","","0.995","","","","has coordinates,has disorder","269779","2021-10-06","16:15:30",""
"7158511","19.5352","0.0005","14.0585","0.0004","13.9778","0.0005","90","","90","","90","","3838.8","0.2","295.48","0.1","295.48","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 Br N3 O -","- C20 H14 Br N3 O -","- C160 H112 Br8 N24 O8 -","8","1","","Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa","Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.","Organic & biomolecular chemistry","2022","20","10","2069","2074","10.1039/d1ob02492b","","x-ray","1.54184","CuKα","","0.0659","0.0606","","","0.1691","0.1719","","","","","","1.123","","","","has coordinates","275049","2022-05-05","20:52:51",""
"7158917","13.785","0.0006","14.0217","0.0007","29.4717","0.0013","90","","90","","90","","5696.6","0.5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O4 S -","- C34 H28 N2 O4 S -","- C272 H224 N16 O32 S8 -","8","1","","Dehghanpour Kalan, Reza; Amiri, Kamran; Rominger, Frank -; Balalaie, Saeed; Bijanzadeh, Hamid Reza","Regio- and diastereoselective transition metal-free hydroalkylation of N-allenyl sulfonamides by push-pull 2-alkynylquinolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01362B","","","0.71073","MoKα","","0.1147","0.0535","","","0.1046","0.1296","","","","","","1.014","","","","has coordinates","278497","2022-10-08","00:38:24",""
"7158923","7.4851","0.0002","11.8514","0.0003","25.8916","0.0009","90","","90","","90","","2296.82","0.12","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","model","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","0.5","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","1.54178","CuKα","","0.0753","0.0669","","","0.1595","0.1634","","","","","","1.224","","","","has coordinates","278559","2022-10-13","00:50:34",""
"7158926","17.0998","0.0007","18.8164","0.0007","29.2275","0.0011","90","","90","","90","","9404.1","0.6","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","macrocycle","","- C52 H50 N6 O10 -","- C52 H50 N6 O10 -","- C416 H400 N48 O80 -","8","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","","1.54178","CuKα","","0.0752","0.0532","","","0.1332","0.1533","","","","","","1.063","","","","has coordinates,has disorder","278559","2022-10-13","00:50:35",""
"7159080","25.12","0.005","27.45","0.006","40.02","0.008","90","","90","","90","","27596","10","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C245.7 H233.7 Cl23.69 N40 O42 -","- C245.036 H139.696 Cl23.696 N40 O42 -","- C980.144 H558.784 Cl94.784 N160 O168 -","4","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","0.81","synchrotron","","0.1606","0.1596","","","0.544","0.548","","","","","","3.204","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37",""
"7159717","13.5552","0.0004","7.1623","0.0003","23.1013","0.0008","90","","90","","90","","2242.82","0.14","298.98","","298.98","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1525","0.0542","","","0.1149","0.2085","","","","","","1.151","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159735","19.9358","0.0004","15.8356","0.0003","15.2943","0.0003","90","","90","","90","","4828.34","0.16","180","","180","","","","","","","","","5","P b c n","-P 2n 2ab","60","Benzenemethanaminium, N,N,N-trimethyl-, (TB-5-11)-difluorotriphenylsilicate(1-)","Benzyltrimethylammonium difluorotriphenylsilicate","","- C28 H31 F2 N Si -","- C28 H31 F2 N Si -","- C224 H248 F16 N8 Si8 -","8","1","","Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.","Organic & biomolecular chemistry","2024","22","5","1047","1056","10.1039/d3ob01875j","","","1.54178","CuKα","","0.0484","0.0389","","0.1095","0.0943","0.1095","","","","","","0.9978","","","","has coordinates","289614","2024-02-04","12:27:26",""
"7159861","15.7","0.002","11.2137","0.0013","13.4533","0.0013","90","","90","","90","","2368.5","0.5","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 N2 O7 S2 -","- C24 H20 N2 O7 S2 -","- C96 H80 N8 O28 S8 -","4","0.5","","Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K.","Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes.","Organic & biomolecular chemistry","2024","22","15","3045","3052","10.1039/d4ob00052h","","x-ray","0.71073","MoKα","","0.0988","0.0418","","","0.0996","0.1246","","","","","","1.029","","","","has coordinates","291692","2024-05-05","04:03:37",""
"7200939","23.4552","0.0004","17.1577","0.0003","17.1153","0.0003","90","","90","","90","","6887.8","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36.5 H35 Co N5 O4.5 -","- C36.5 H35 Co N5 O4.5 -","- C292 H280 Co8 N40 O36 -","8","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0895","0.0611","","","0.1743","0.1986","","","","","","1.091","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7201096","14.894","0.004","17.722","0.003","10.154","0.003","90","","90","","90","","2680.2","1.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","0.5","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0463","0.0321","","","0.0745","0.0819","","","","","","1.028","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201118","20.621","0.005","11.347","0.005","20.071","0.005","90","","90","","90","","4696","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H38 N4 O8 Zn2 -","- C48 H38 N4 O8 Zn2 -","- C192 H152 N16 O32 Zn8 -","4","0.5","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1689","0.0617","","","0.1269","0.1818","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201402","16.458","0.005","6.0708","0.0004","21.095","0.0012","90","","90","","90","","2107.7","0.7","293","2","293","2","","","280000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.082","0.0684","","","0.1611","0.1696","","","","","","1.204","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201403","16.169","0.004","6.0038","0.0016","20.971","0.004","90","","90","","90","","2035.8","0.8","293","2","293","2","","","590000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0694","0.0616","","","0.1475","0.153","","","","","","1.026","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201406","15.274","0.004","5.8537","0.0003","20.7562","0.0012","90","","90","","90","","1855.8","0.5","293","2","293","2","","","1930000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.1144","0.1076","","","0.2752","0.2815","","","","","","1.241","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201881","7.883","0.002","9.292","0.004","25.355","0.008","90","","90","","90","","1857.2","1.1","294","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.64","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201899","16.316","0.006","8.094","0.003","23.421","0.008","90","","90","","90","","3093","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 N3 Ni O4 -","- C16 H17 N3 Ni O4 -","- C128 H136 N24 Ni8 O32 -","8","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0588","0.0392","","","0.0829","0.0896","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202074","17.034","0.005","10.422","0.002","24.427","0.008","90","","90","","90","","4336","2","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","0.5","","Zhan, Xiaowei; Haldi, Andreas; Risko, Chad; Chan, Calvin K.; Zhao, Wei; Timofeeva, Tatiana V.; Korlyukov, Aleksander; Antipin, Mikhail Yu.; Montgomery, Sarah; Thompson, Evans; An, Zesheng; Domercq, Benoit; Barlow, Stephen; Kahn, Antoine; Kippelen, Bernard; Brédas, Jean-Luc; Marder, Seth R.","Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties","Journal of Materials Chemistry","2008","18","26","3157","","10.1039/b803470b","","","0.71073","MoKα","","0.1929","0.0623","","","0.1229","0.1409","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202116","11.7668","0.0016","16.821","0.003","20.579","0.003","90","","90","","90","","4073.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cu3 N8 O17 -","- C38 H40 Cu3 N8 O17 -","- C152 H160 Cu12 N32 O68 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1394","0.0603","","","0.1188","0.1442","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202262","5.5518","0.0004","19.8748","0.0014","39.87","0.003","90","","90","","90","","4399.3","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 O6 S2 -","- C14 H12 O6 S2 -","- C168 H144 O72 S24 -","12","1.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0867","0.0519","","","0.1291","0.1566","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202319","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H45 Mn N18 O0.5 -","- C46 H45 Mn N18 O0.5 -","- C184 H180 Mn4 N72 O2 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1668","0.1278","","","0.3078","0.3484","","","","","","1.199","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202320","24.893","0.002","24.682","0.002","8.1486","0.0007","90","","90","","90","","5006.6","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H48 N18 Ni O2 -","- C46 H44 N18 Ni O2 -","- C184 H176 N72 Ni4 O8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1739","0.0599","","","0.1419","0.1932","","","","","","0.957","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202325","24.758","0.002","24.387","0.002","8.2917","0.0007","90","","90","","90","","5006.3","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H44 Co N14 S2 -","- C44 H44 Co N14 S2 -","- C176 H176 Co4 N56 S8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1179","0.0711","","","0.215","0.2366","","","","","","1.021","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202401","16.39","0.003","10.085","0.002","10.35","0.002","90","","90","","90","","1710.8","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H13 N2 Nd O8 -","- C15 H13 N2 Nd O8 -","- C60 H52 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0307","0.0236","","","0.0552","0.0586","","","","","","1.064","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202403","16.652","0.003","9.474","0.002","10.332","0.002","90","","90","","90","","1630","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.02","0.0185","","","0.0479","0.0487","","","","","","1.107","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202441","7.2994","0.0015","7.4104","0.0015","30.527","0.006","90","","90","","90","","1651.3","0.6","299","2","299","2","","","","","","","","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","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0321","0.0283","","","0.0744","0.0773","","","","","","1.069","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202552","13.3982","0.0004","7.7207","0.0002","19.1997","0.0005","90","","90","","90","","1986.08","0.09","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cd N14 -","- C16 H12 Cd N14 -","- C64 H48 Cd4 N56 -","4","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.71073","MoKα","","0.0555","0.0544","","","0.146","0.147","","","","","","1.142","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202576","17.039","0.005","18.642","0.008","13.69","0.004","90","","90","","90","","4349","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O4 S3 -","- C20 H18 N2 O4 S3 -","- C160 H144 N16 O32 S24 -","8","1","","Marie Bourgeaux; Sergio Andrés Pérez Guarìn; W. G. Skene","Photophysical, crystallographic, and electrochemical characterization of novel conjugated thiopheno azomethines","Journal of Materials Chemistry","2007","17","10","972","","10.1039/b615325a","","","1.54178","CuKα","","0.1033","0.0397","","","0.0866","0.1019","","","","","","0.705","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202646","7.5677","0.0004","16.7343","0.0006","11.6003","0.0003","90","","90","","90","","1469.06","0.1","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,4,6-trimethylpyridine pentafluoroiodobenzene","2,4,6-trimethylpyridine pentafluoroiodobenzene","","- C14 H11 F5 I N -","- C14 H11 F5 I N -","- C56 H44 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0268","0.0193","","","0.049","0.0514","","","","","","1.116","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202883","13.0204","0.001","20.3203","0.0014","15.8814","0.0011","90","","90","","90","","4201.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H34 N4 O17 Zn2 -","- C44 H32 N4 O17 Zn2 -","- C176 H128 N16 O68 Zn8 -","4","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0894","","","0.2378","0.2753","","","","","","1.099","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202932","29.62","0.015","8.458","0.004","13.838","0.007","90","","90","","90","","3467","3","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H40 N4 O8 S8 Zn2 -","- C20 H40 N4 O8 S8 Zn2 -","- C80 H160 N16 O32 S32 Zn8 -","4","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.041","0.036","","","0.086","0.089","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203083","13.1562","0.0001","20.3741","0.0002","18.8557","0.0002","90","","90","","90","","5054.19","0.08","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H33 Fe2 N14 O2 S6 -","- C46 H33 Fe2 N14 O2 S6 -","- C184 H132 Fe8 N56 O8 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.0445","0.0279","","0.0463","0.0319","0.0319","","","","","","1.0827","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203084","13.3057","0.0001","20.3495","0.0002","18.4014","0.0002","90","","90","","90","","4982.44","0.08","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H32 Fe2 N15 S6 -","- C48 H32 Fe2 N15 S6 -","- C192 H128 Fe8 N60 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.091","0.0701","","0.0432","0.0414","0.0414","","","","","","0.9055","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203107","12.5606","0.0006","17.25","0.0008","18.1617","0.0009","90","","90","","90","","3935.1","0.3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Cl Mn N7 O4 -","- C16 H18 Cl Mn N7 O4 -","- C128 H144 Cl8 Mn8 N56 O32 -","8","1","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0849","0.0585","","","0.1502","0.1637","","","","","","1.025","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203747","19.056","0.002","7.536","0.001","13.524","0.001","90","","90","","90","","1942.1","0.4","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C11 H9 O S -","- C11 H9 O S -","- C88 H72 O8 S8 -","8","1","","Leriche, Philippe; Frère, Pierre; Roncali, Jean","Structure‒reactivity relationships in bithiophenic precursors based on the 3-phenoxythiophene building block","Journal of Materials Chemistry","2005","15","34","3473","","10.1039/b502164b","","x-ray","0.71073","MoKα","","0.0776","0.0461","","","0.1163","0.129","","","","","","0.971","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203980","5.2475","0.0009","13.795","0.002","11.689","0.002","90","","90","","90","","846.2","0.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Co F Na2 O4 P -","- Co F Na2 O4 P -","- Co8 F8 Na16 O32 P8 -","8","1","","Sanz, Francisca; Parada, Carmen; Ruíz-Valero, Caridad","Crystal growth, crystal structure and magnetic properties of disodium cobalt fluorophosphate","Journal of Materials Chemistry","2001","11","1","208","","10.1039/b003150j","","","0.71073","MoKα","","0.1122","0.0632","","0.2624","0.1824","","","","1.061","0.923","0.923","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204144","38.754","0.008","7.958","0.0016","20.954","0.004","90","","90","","90","","6462","2","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H19 N7 O -","- C16 H19 N7 O -","- C256 H304 N112 O16 -","16","2","","Julian S. Northen; F. Thomas Boyle; William Clegg; Nicola J. Curtin; Andrew J. Edwards; Roger J. Griffin; Bernard T. Golding","Controlled stepwise conversion of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine into 2,4,6,8-tetrasubstituted pyrimido[5,4-d]pyrimidines","J. Chem. Soc., Perkin Trans. 1","2002","","1","108","115","10.1039/b102224p","","","0.6889","synchrotron","","0.1088","0.0558","","","0.1206","0.1386","","","","","","0.893","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204198","22.9824","0.0005","7.6791","0.0003","6.6178","0.0003","90","","90","","90","","1167.94","0.07","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C1.5 N O4.5 P Zn -","- C1.5 N O4.5 P Zn -","- C12 N8 O36 P8 Zn8 -","8","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of two-dimensional layered zinc phosphates to three-dimensional and one-dimensional structures","Journal of Materials Chemistry","2002","12","4","1044","","10.1039/b105899c","","","0.71073","MoKα","","0.0772","0.0564","","0.1285","0.1188","","","","1.23","1.29","1.29","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204586","17.712","0.002","8.7976","0.0008","9.7375","0.0009","90","","90","","90","","1517.3","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn","Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/","Green Chemistry","2003","5","2","187","","10.1039/b212394k","","","0.71073","MoKα","","0.0617","0.0387","","","0.0893","0.0974","","","","","","1.03","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204712","8.457","0.002","18.553","0.004","13.006","0.003","90","","90","","90","","2040.7","0.8","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H18 O6 S3 -","- C21 H18 O6 S3 -","- C84 H72 O24 S12 -","4","0.5","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.0622","0.053","","","0.1679","0.1758","","","","","","1.423","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204720","15.9821","0.0016","14.3963","0.0015","23.765","0.002","90","","90","","90","","5467.9","0.9","116","2","116","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 N2 O4.5 -","- C33 H34 N2 O4.5 -","- C264 H272 N16 O36 -","8","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0978","0.0686","","","0.1871","0.2052","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204759","14.997","0.0019","16.743","0.003","19.587","0.002","90","","90","","90","","4918.2","1.2","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H82 N2 Nb2 O14 Sr -","- C32 H82 N2 Nb2 O14 Sr -","- C128 H328 N8 Nb8 O56 Sr4 -","4","0.5","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.119","0.0503","","","0.1088","0.1276","","","","","","0.743","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204785","25.506","0.005","10.102","0.002","13.415","0.003","90","","90","","90","","3456.5","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H24 N3 Nd O13.5 S2.5 -","- C7 H24 N3 Nd O13.5 S2.5 -","- C56 H192 N24 Nd8 O108 S20 -","8","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0536","0.0469","","0.0932","0.0913","","","","1.287","1.328","1.328","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204931","13.036","0.003","8.7286","0.0017","12.938","0.003","90","","90","","90","","1472.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sodium zinc germanate hydroxide hydrate","","","- Ge2 H4 Na2 O8 Zn -","- Ge4 H8 Na4 O16 Zn2 -","- Ge16 H32 Na16 O64 Zn8 -","4","0.5","","Reisner, Barbara A.; Tripathi, Akhilesh; Parise, John B.","Na8[Zn4Ge8O18(OH)12]·2H2O: An interrupted-framework zincogermanate built from [GeO3(OH)] and [Ge2(OH)2] units","Journal of Materials Chemistry","2001","11","3","887","","10.1039/b004668j","","","0.71073","MoKα","","0.0595","0.0434","","","0.1206","0.1293","","","","","","1.06","","","","has coordinates","288259","2023-12-12","16:04:06",""
"7205097","14.839","0.0006","15.717","0.0006","22.081","0.0009","90","","90","","90","","5149.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H22 N3 O14 Zn2 -","- C22 H15 N3 O14 Zn2 -","- C176 H120 N24 O112 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0673","0.0354","","","0.0879","0.1037","","","","","","1.009","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205114","15.745","0.003","9.1922","0.0018","9.4397","0.0019","90","","90","","90","","1366.2","0.5","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co O8 -","- C16 H8 Co O8 -","- C64 H32 Co4 O32 -","4","0.5","","Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min","Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture","CrystEngComm","2011","13","1","44","","10.1039/c0ce00066c","","","0.71073","MoKα","","0.0565","0.0502","","","0.1226","0.1276","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205117","15.851","0.006","9.288","0.004","19.691","0.008","90","","90","","90","","2899","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.1165","0.0784","","","0.2086","0.2362","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205133","10.4247","0.0007","19.6843","0.0017","36.096","0.003","90","","90","","90","","7407","1","293","2","293","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C52.88 H39.88 Cl0.24 Fe N0.88 O13 S32 -","- C52.878 H39.8776 Cl0.2448 Fe N0.8776 O13 S32 -","- C211.512 H159.51 Cl0.9792 Fe4 N3.5104 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.1355","0.0522","","","0.1034","0.1156","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205311","11.366","0.002","11.188","0.002","19.927","0.004","90","","90","","90","","2534","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cl2 Cu2 N4 O -","- C26 H21 Cl2 Cu2 N4 O -","- C104 H84 Cl8 Cu8 N16 O4 -","4","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1092","0.0671","","","0.1763","0.2062","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205313","13.85","0.0012","15.0646","0.0013","21.0658","0.0018","90","","90","","90","","4395.3","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H80 Ag4 N16 O18 -","- C90 H80 Ag4 N16 O18 -","- C180 H160 Ag8 N32 O36 -","2","0.25","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.1074","0.0631","","","0.1335","0.1437","","","","","","1.02","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205362","13.3271","0.0008","10.2322","0.0006","8.0646","0.0005","90","","90","","90","","1099.73","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0165","0.0156","","","0.042","0.0426","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205365","10.8254","0.0005","7.8337","0.0003","17.8083","0.0008","90","","90","","90","","1510.2","0.11","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C24 H32 Br8 Cd8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0261","0.0217","","","0.0522","0.054","","","","","","1.046","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205366","10.813","0.002","7.6106","0.0016","17.77","0.004","90","","90","","90","","1462.4","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Cd Cl N3 S -","- C3 H4 Cd Cl N3 S -","- C24 H32 Cd8 Cl8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0269","0.0214","","","0.0492","0.0519","","","","","","1.005","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205394","15.678","0.003","9.197","0.0019","9.414","0.002","90","","90","","90","","1357.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H6 Co O8 -","- C16 H6 Co O8 -","- C64 H24 Co4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0447","0.0339","","","0.0807","0.0841","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205395","15.764","0.003","9.1079","0.0015","9.7436","0.0015","90","","90","","90","","1399","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Mn O8 -","- C16 H8 Mn O8 -","- C64 H32 Mn4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0812","0.0547","","","0.0961","0.1048","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205620","25.4736","0.0009","8.5626","0.0003","16.9318","0.0006","90","","90","","90","","3693.2","0.2","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0716","0.042","","","0.1009","0.1214","","","","","","1.008","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205621","25.479","0.003","8.1154","0.0008","17.987","0.002","90","","90","","90","","3719.2","0.7","286","2","286","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1681","0.0901","","","0.2565","0.3356","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205947","9.8839","0.0004","18.237","0.0008","18.0818","0.0008","90","","90","","90","","3259.3","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cobalt(ii) formate DEF solvate","","","- C12 H12 Co6 O24 -","- C12 H12 Co6 O24 -","- C48 H48 Co24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0595","0.0405","","","0.0901","0.0956","","","","","","0.968","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205948","9.8715","0.0009","18.2678","0.0015","18.1613","0.0016","90","","90","","90","","3275","0.5","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","magnesium(ii) formate DEF solvate","","","- C12 H12 Mg6 O24 -","- C12 H12 Mg6 O24 -","- C48 H48 Mg24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0708","0.0471","","","0.1081","0.116","","","","","","0.966","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205949","9.868","0.0004","18.2476","0.0008","18.14","0.0008","90","","90","","90","","3266.4","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Zinc(ii) formate DEF solvate","","","- C12 H12 O24 Zn6 -","- C12 H12 O24 Zn6 -","- C48 H48 O96 Zn24 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0336","0.0298","","","0.0832","0.0849","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205995","11.8722","0.0004","12.9955","0.0004","8.1575","0.0002","90","","90","","90","","1258.58","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H4 Cl2 Cs2 N2 O5 -","- C7 H4 Cl2 Cs2 N2 O5 -","- C28 H16 Cl8 Cs8 N8 O20 -","4","0.5","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","0.71073","MoKα","","","0.0579","","","","0.1652","","","","","","0.879","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206151","15.1257","0.0001","15.5606","0.0001","24.7564","0.0002","90","","90","","90","","5826.79","0.07","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C27 H26 Cu2 I3 O P -","- C27 H26 Cu2 I3 O P -","- C216 H208 Cu16 I24 O8 P8 -","8","1","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.0379","0.034","","","0.1075","0.1092","","","","1.85","1.85","1.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206171","12.625","0.0012","20.431","0.002","33.166","0.003","90","","90","","90","","8554.9","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H31 Co2 N24 O -","- C37.998 H31 Co2 N24 O -","- C303.984 H248 Co16 N192 O8 -","8","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0856","0.0529","","","0.1313","0.1477","","","","","","1.063","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206221","12.267","0.002","11.93","0.002","4.9664","0.001","90","","90","","90","","726.8","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-diamino-3,5-dibromopyridine","","- C5 H5 Br2 N3 -","- C5 H5 Br2 N3 -","- C20 H20 Br8 N12 -","4","0.5","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0341","0.0228","","","0.0506","0.0544","","","","","","1.027","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206543","35.923","0.006","20.557","0.003","16.968","0.003","90","","90","","90","","12530","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C468 H324 Fe12 N72 O72 -","12","1.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1312","0.0989","","0.2938","","0.265","","","1.03","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206703","31.128","0.006","8.2169","0.0016","17.034","0.003","90","","90","","90","","4356.9","1.4","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0862","0.0481","","","0.1181","0.1365","","","","","","1.04","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206970","15.1333","0.0004","19.3949","0.0005","23.3326","0.0006","90","","90","","90","","6848.3","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0904","0.0533","","","0.1145","0.1316","","","","","","1.036","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206971","14.8806","0.0003","19.7336","0.0004","23.4274","0.0006","90","","90","","90","","6879.4","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0899","0.0558","","","0.1231","0.1422","","","","","","1.02","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7207054","17.93","0.005","20.008","0.005","22.662","0.005","90","0.005","90","0.005","90","0.005","8130","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co2 N9 O15 -","- C36 H28 Co2 N9 O15 -","- C288 H224 Co16 N72 O120 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1333","0.0629","","","0.1167","0.1411","","","","","","0.99","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207219","16.821","0.005","10.432","0.003","27.753","0.009","90","","90","","90","","4870","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H28 Ag3 N7 -","- C17 H28 Ag3 N7 -","- C136 H224 Ag24 N56 -","8","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0987","0.0697","","","0.195","0.2178","","","","","","1.108","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207282","10.828","0.002","20.059","0.006","14.318","0.004","90","","90","","90","","3109.9","1.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","1","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0392","0.0288","","","0.0666","0.0722","","","","","","1.114","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207714","23.169","0.0014","8.6022","0.0005","8.0337","0.0005","90","","90","","90","","1601.15","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-2-(5-(nitroimino)-4,5-dihydro-1H-tetrazol-1-yl)acetic acid hydrate","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C24 H48 N48 O40 -","8","1","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.036","0.0332","","","0.0927","0.0954","","","","","","1.032","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207826","19.7898","0.001","8.36585","0.00034","11.79716","0.00041","90","","90","","90","","1953.12","0.14","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H20 N6 Ni O2 S2 -","- C18 H20 N6 Ni O2 S2 -","- C72 H80 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0186","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7208333","17.299","0.009","11.951","0.007","23.254","0.013","90","","90","","90","","4808","5","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- As8 H8 N2 S13 -","- As8 H8 N2 S13 -","- As64 H64 N16 S104 -","8","1","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0615","0.0533","","","0.1398","0.1475","","","","","","1.021","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208398","21.9927","0.0005","12.7858","0.0003","11.2203","0.0003","90","","90","","90","","3155.08","0.13","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H12 Ag F6 N6 P -","- C12 H12 Ag F6 N6 P -","- C96 H96 Ag8 F48 N48 P8 -","8","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.027","0.0203","","","0.0483","0.0516","","","","","","1.042","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208462","8.0773","0.0003","21.049","0.0007","34.7351","0.0015","90","","90","","90","","5905.6","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H28.5 Cd N8 O10.25 -","- C23 H28.5 Cd N8 O10.25 -","- C184 H228 Cd8 N64 O82 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0901","0.0547","","","0.1212","0.139","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208544","18.392","0.0003","18.966","0.0003","15.866","0.0003","90","","90","","90","","5534.42","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C62 H74 Co N6 O10 -","- C62 H74 Co N6 O10 -","- C248 H296 Co4 N24 O40 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0761","0.0395","","","0.1093","0.1156","","","","","","0.881","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208699","8.4363","0.0004","5.3754","0.0002","25.8792","0.0012","90","","90","","90","","1173.58","0.09","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Li2 O5 -","- C14 H8 Li2 O5 -","- C56 H32 Li8 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0618","0.036","","","0.0819","0.0884","","","","","","1.018","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208731","17.4689","0.0004","8.7125","0.0002","18.7322","0.0004","90","","90","","90","","2851","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cl2 N4 Ni -","- C32 H28 Cl2 N4 Ni -","- C128 H112 Cl8 N16 Ni4 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0665","0.0328","","","0.0608","0.0653","","","","","","0.846","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208756","12.88","0.003","17.407","0.004","16.87","0.003","90","","90","","90","","3782.3","1.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H21 Ca2 O17.5 S2 -","- C6 H21 Ca2 O17.5 S2 -","- C48 H168 Ca16 O140 S16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0453","0.0433","","","0.1293","0.1306","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7208950","20.7047","0.0004","8.8643","0.0001","8.8911","0.0001","90","","90","","90","","1631.81","0.04","120","2","120","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C12 H21 Ce O10 -","- C12 H21 Ce O10 -","- C48 H84 Ce4 O40 -","4","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0359","0.0227","","","0.0456","0.0516","","","","","","1.047","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7209407","11.922","","6.1242","","11.917","","90","","90","","90","","870.092","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Gd4 Au2 O9","","- Au2 Gd4 O9 -","- Au2 Gd4 O9 -","- Au8 Gd16 O36 -","4","0.5","","Steiner, C.; Range, K.J.; Andratschke, M.","Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209410","11.938","","6.126","","11.928","","90","","90","","90","","872.321","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Nd4 Au2 O9","","- Au2 Nd4 O9 -","- Au2 Nd4 O9 -","- Au8 Nd16 O36 -","4","0.5","","Range, K.J.; Steiner, C.; Andratschke, M.","Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209697","18.3342","0.0006","7.6172","0.0002","16.7658","0.0007","90","","90","","90","","2341.43","0.14","116","1","116","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H7 Cd0.5 I N7 -","- C9 H7 Cd0.5 I N7 -","- C72 H56 Cd4 I8 N56 -","8","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0545","0.0323","","","0.0611","0.0714","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209778","29.5046","0.0005","14.3407","0.0002","18.4708","0.0003","90","","90","","90","","7815.3","0.2","130","2","130","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O28 Pb6 -","- C68 H60 O28 Pb6 -","- C272 H240 O112 Pb24 -","4","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0673","0.03","","","0.0591","0.0624","","","","","","0.847","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209780","32.547","0.001","17.5335","0.0006","13.7923","0.0006","90","","90","","90","","7870.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H86 Ce2 N12 O34 -","- C66 H78 Ce2 N12 O30 -","- C264 H312 Ce8 N48 O120 -","4","0.5","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1123","0.056","","","0.0885","0.1057","","","","","","0.966","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209854","7.6664","0.0016","31.951","0.007","15.481","0.003","90","","90","","90","","3792.1","1.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cu3 I2 N4 O6 -","- C10 H10 Cu3 I2 N4 O6 -","- C80 H80 Cu24 I16 N32 O48 -","8","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1308","0.0867","","","0.1536","0.1696","","","","","","1.087","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209884","11.3517","0.0007","9.6554","0.0005","15.5866","0.0008","90","","90","","90","","1708.37","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C48 H32 Br8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.065","0.0515","","","0.1182","0.1265","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209885","11.3675","0.0003","9.7875","0.0003","15.6246","0.0007","90","","90","","90","","1738.38","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 N4 S2 Zn -","- C12 H8 Br2 N4 S2 Zn -","- C48 H32 Br8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0584","0.0499","","","0.0887","0.0917","","","","","","1.327","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209887","11.2928","0.0007","9.7123","0.0005","15.1913","0.0008","90","","90","","90","","1666.17","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0398","0.0312","","","0.0754","0.0799","","","","","","1.036","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209889","11.3237","0.0004","9.7997","0.0003","15.2661","0.0006","90","","90","","90","","1694.06","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0424","0.0376","","","0.0867","0.0891","","","","","","1.166","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209890","11.357","0.0008","9.7125","0.0005","15.391","0.0012","90","","90","","90","","1697.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0685","0.0507","","","0.0921","0.0986","","","","","","1.186","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209982","23.746","0.008","12.946","0.004","15.957","0.005","90","","90","","90","","4905","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Mn2 N14 O4 -","- C18 H16 Mn2 N14 O4 -","- C144 H128 Mn16 N112 O32 -","8","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0698","0.0542","","","0.1264","0.1356","","","","","","1.032","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210046","16.2118","0.0004","16.2381","0.0003","22.4507","0.0005","90","","90","","90","","5910.1","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cu2 N10 O15 -","- C23 H20 Cu2 N10 O15 -","- C184 H160 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0668","0.0338","","","0.0533","0.055","","","","","","0.989","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210088","10.353","0.0003","12.3146","0.0003","9.4233","0.0002","90","","90","","90","","1201.41","0.05","173.1","","173.1","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","0.5","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","","","0.054","0.0395","","0.1093","0.0947","0.1093","","","","","","0.9727","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210213","31.5","0.007","12.412","0.003","7.016","0.002","90","","90","","90","","2743.1","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,3-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0721","0.0642","","","0.1617","0.1686","","","","","","1.106","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210238","10.232","0.003","14.433","0.004","22.709","0.006","90","","90","","90","","3353.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(3-tzbd)2.H2O]n","","","- C3.05 H2.29 N1.52 O0.57 Zn0.19 -","- C3.04762 H2.28571 N1.52381 O0.571429 Zn0.190476 -","- C128 H96 N64 O24 Zn8 -","42","5.25","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0584","0.057","","","0.1837","0.1854","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210410","10.3683","0.0004","19.6056","0.0009","36.0834","0.0013","90","","90","","90","","7334.9","0.5","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H37.93 K0.69 N O12.31 Ru S32 -","- C53 H37 K0.69 N O12.31 Ru S32 -","- C212 H148 K2.76 N4 O49.24 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0794","0.0522","","","0.1103","0.1201","","","","","","1.018","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210442","16.2119","0.0004","10.9173","0.0003","15.7225","0.0004","90","","90","","90","","2782.73","0.12","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C104 H96 Cu8 N16 O64 -","8","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0444","0.0368","","","0.0922","0.0965","","","","","","1.014","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210465","16.357","0.003","10.062","0.002","13.506","0.003","90","","90","","90","","2222.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C72 H80 N32 S16 -","4","0.5","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0426","0.0371","","","0.1023","0.1066","","","","","","1.065","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210623","13.1218","0.001","20.9009","0.0017","20.6305","0.0016","90","","90","","90","","5658.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C256 H176 Cd8 N48 O40 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0605","0.0398","","","0.0832","0.0909","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210840","27.539","0.002","7.4754","0.0004","25.6914","0.0019","90","","90","","90","","5289","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C57 H52 O8 -","- C57 H52 O8 -","- C228 H208 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1466","0.0801","","","0.1819","0.2031","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210894","13.739","0.002","24.301","0.003","15.179","0.002","90","","90","","90","","5067.8","1.2","120","1","120","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H46 Co8 N18 O33 -","- C27 H9 Co8 N18 O25 -","- C108 H36 Co32 N72 O100 -","4","0.5","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.2517","0.0827","","","0.2059","0.2383","","","","","","0.581","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210970","18.043","0.0012","7.0446","0.0006","20.792","0.002","90","","90","","90","","2642.8","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","1.54184","CuKα","","0.157","0.0738","","","0.1642","0.213","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211094","23.908","0.004","10.0503","0.0018","17.068","0.003","90","","90","","90","","4101.1","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H38 N10 O18 Zn3 -","- C32 H38 N10 O18 Zn3 -","- C128 H152 N40 O72 Zn12 -","4","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0807","0.0476","","","0.1163","0.1335","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211119","28.3393","0.0019","7.0215","0.0003","6.9066","0.0004","90","","90","","90","","1374.31","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","cesium hemibenzoate orthorhombic phase","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0426","0.0312","","","0.0503","0.054","","","","","","1.176","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211255","33.4782","0.0019","9.1734","0.0005","17.5749","0.001","90","","90","","90","","5397.4","0.5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H74 N2 O14 -","- C58 H74 N2 O14 -","- C232 H296 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.058","0.0457","","","0.1154","0.1241","","","","","","1.052","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211489","23.8424","0.0005","14.7858","0.0003","7.6296","0.0002","90","","90","","90","","2689.65","0.11","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H23 Cd2 N9 O15 S2 -","- C15 H23 Cd2 N9 O15 S2 -","- C60 H92 Cd8 N36 O60 S8 -","4","0.5","","Safin, Damir A.; Xu, Yang; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation","CrystEngComm","2013","15","48","10419","","10.1039/c3ce42146e","","","0.71073","MoKα","","0.0266","0.0219","","","0.0569","0.0594","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211917","16.1983","0.0008","14.3762","0.0008","12.8497","0.0007","90","","90","","90","","2992.3","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H14 Cu O6 -","- C14 H14 Cu O6 -","- C112 H112 Cu8 O48 -","8","1","","Kanoo, Prakash; Gurunatha, K. L.; Maji, Tapas Kumar","Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity","Journal of Materials Chemistry","2010","20","7","1322","","10.1039/b917029d","","","0.71073","MoKα","","0.1255","0.0639","","","0.1787","0.2341","","","","","","1.058","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211977","16.389","0.007","13.157","0.006","26.553","0.012","90","","90","","90","","5726","4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","F-MOF 5","","","- C62 H32 Cu2 F12 N5 O10 -","- C62 H32 Cu2 F12 N5 O10 -","- C248 H128 Cu8 F48 N20 O40 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.1255","0.0562","","","0.1512","0.1862","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212136","16.807","0.003","16.647","0.003","7.6875","0.0015","90","","90","","90","","2150.9","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H28 N8 -","- C23 H28 N8 -","- C92 H112 N32 -","4","0.5","","Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan","A europium complex with enhanced long-wavelength sensitized luminescent properties.","Physical chemistry chemical physics : PCCP","2010","12","13","3195","3202","10.1039/b920448b","","","0.71073","MoKα","","0.0961","0.0568","","","0.1517","0.1644","","","","","","0.875","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212154","12.61","0.003","23.552","0.006","14.121","0.004","90","","90","","90","","4193.8","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 N12 O12 S Zn -","- C34 H52 N12 O12 S Zn -","- C136 H208 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0679","0.0395","","","0.0998","0.1127","","","","","","1.028","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212155","12.7357","0.0012","23.931","0.002","14.2117","0.0013","90","","90","","90","","4331.4","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 Cd N12 O12 S -","- C34 H52 Cd N12 O12 S -","- C136 H208 Cd4 N48 O48 S4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0657","0.0344","","","0.0777","0.0915","","","","","","1.016","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212156","13.1181","0.0014","23.502","0.002","14.1772","0.0015","90","","90","","90","","4370.9","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H56 N12 O12 S Zn -","- C36 H32 N12 O12 S Zn -","- C144 H128 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0803","0.0559","","","0.1672","0.186","","","","","","1.079","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212194","18.733","0.002","10.2319","0.0014","20.283","0.003","90","","90","","90","","3887.7","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Mn(M4)(dmf)]-1/2(DMF)","","- C18.5 H18.5 Mn N3.5 O6.5 -","- C18.5 H18.5 Mn N3.5 O6.5 -","- C148 H148 Mn8 N28 O52 -","8","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0731","0.0463","","","0.0987","0.1091","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212227","15.6709","0.0013","10.8951","0.0009","11.3147","0.001","90","","90","","90","","1931.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 Cu N4 O5 -","- C15 H23.128 Cu N4 O5.128 -","- C60 H92.512 Cu4 N16 O20.512 -","4","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0558","0.0315","","","0.0849","0.1001","","","","","","1.025","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212228","17.216","0.003","6.674","0.001","23.473","0.005","90","","90","","90","","2697","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Isophthalic acid DABCO","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1838","0.0575","","","0.1145","0.1513","","","","","","0.865","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212264","9.991","0.002","22.751","0.005","7.1579","0.0016","90","","90","","90","","1627","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C72 H56 N16 O20 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0577","0.0427","","","0.1078","0.1168","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212272","5.542","0.0017","12.465","0.004","16.069","0.005","90","","90","","90","","1110.1","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 O3 -","- C12 H8 N4 O3 -","- C48 H32 N16 O12 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1038","0.0547","","","0.1125","0.1261","","","","","","0.963","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212803","18.175","0.003","8.735","0.0015","30.413","0.005","90","","90","","90","","4828.3","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cu N4 O5.5 S -","- C26 H18 Cu N4 O5.5 S -","- C208 H144 Cu8 N32 O44 S8 -","8","1","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.1122","0.064","","","0.1488","0.1731","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213126","24.3829","0.0015","9.896","0.0006","15.7266","0.0005","90","","90","","90","","3794.7","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C160 H216 N8 O40 -","8","1","","Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Aoki, Yoshio; Hirose, Takuji","Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2077","","10.1039/a904475b","","","0.71073","MoKα","","0.0821","0.0632","","0.1887","0.1581","","","","1.037","1.068","1.068","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213269","25.868","0.002","7.826","0.001","18.105","0.002","90","","90","","90","","3665.2","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H19 N2 O3.5 -","- C23 H19 N2 O3.5 -","- C184 H152 N16 O28 -","8","1","","Kumar, Subodh; Hundal, Geeta; Paul, Dharam; Hundal, Maninder Singh; Singh, Harjit","Heterocalixarenes. Part 4. Synthesis of oxocalix[1]heterocycle[2]arenes: a unique H-bonding network in calix[1]benzimidazol-2-one[2]arene· 1/2 H2O †","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2295","","10.1039/b000832j","","","0.71073","MoKα","","0.0833","0.0473","","0.2025","0.1327","","","","1.023","1.082","1.082","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213366","37.11","0.008","10.064","0.002","20.82","0.009","90","","90","","90","","7776","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MCPTweezer","MCPTweezer","","- C74 H94 Cl12 O6 -","- C74 H94 Cl12 O6 -","- C296 H376 Cl48 O24 -","4","0.5","","Sawada, Tsuyoshi; Yamada, Masaki; Thiemann, Thies; Mataka, Shuntaro","Preparation and structures of novel [2.2.2]metacyclophane tweezers","Journal of the Chemical Society, Perkin Transactions 1","2000","","16","2623","","10.1039/b003584j","","","1.54184","CuKa","","0.2754","0.0862","","0.3338","","0.229","","","1.04","","","1.256","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213490","18.086","0.0003","9.7339","0.0001","7.6426","0.0002","90","","90","","90","","1345.46","0.04","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H21 B F4 N2 -","- C11 H21 B F4 N2 -","- C44 H84 B4 F16 N8 -","4","0.5","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0668","0.0525","","0.1657","","0.1568","","","1.112","","","1.227","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213867","18.433","0.003","17.712","0.003","30.096","0.005","90","","90","","90","","9826","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H100 Cd3 Cl2 N8 O34 -","- C88 H64 Cd3 Cl2 N8 O34 -","- C352 H256 Cd12 Cl8 N32 O136 -","4","0.5","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0752","0.0648","","","0.2061","0.2198","","","","","","1.086","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213910","18.0747","0.0017","11.8777","0.0011","12.5442","0.0012","90","","90","","90","","2693.1","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H24 Cu3 N4 O12 -","- C26 H24 Cu3 N4 O12 -","- C104 H96 Cu12 N16 O48 -","4","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.034","0.0249","","","0.0625","0.0664","","","","","","1.029","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213915","16.564","0.004","18.302","0.004","15.879","0.003","90","","90","","90","","4813.8","1.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H24 Mn N4 O5 -","- C27 H24 Mn N4 O5 -","- C216 H192 Mn8 N32 O40 -","8","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.1346","0.0543","","","0.1072","0.1421","","","","","","0.993","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214062","19.6725","0.0014","10.3235","0.0007","10.5318","0.0007","90","","90","","90","","2138.9","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cd N6 O6 -","- C20 H16 Cd N6 O6 -","- C80 H64 Cd4 N24 O24 -","4","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0422","0.0358","","","0.0925","0.0969","","","","","","1.084","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214066","9.359","0.003","19.512","0.006","18.547","0.006","90","","90","","90","","3386.9","1.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 N2 S -","- C17 H17 F3 N2 S -","- C136 H136 F24 N16 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.074","0.0531","","","0.1321","0.1462","","","","","","1.033","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214161","30.671","0.006","16.577","0.003","9.851","0.002","90","","90","","90","","5008.6","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 N8 O6.5 S Zn2 -","- C18 H14 N8 O6 S Zn2 -","- C144 H112 N64 O48 S8 Zn16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0755","0.0505","","","0.1138","0.1252","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214240","13.9345","0.0014","26.096","0.003","19.2265","0.0019","90","","90","","90","","6991.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H40 Co3 N4 O12 -","- C53 H40 Co3 N4 O12 -","- C212 H160 Co12 N16 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.118","0.0752","","","0.216","0.2365","","","","","","0.962","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214308","12.1669","0.0007","12.065","0.0007","19.2806","0.0011","90","","90","","90","","2830.3","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H19 N2 O5 -","- C10 H19 N2 O4.5 -","- C80 H152 N16 O36 -","8","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.1244","0.108","","","0.3651","0.4047","","","","","","0.933","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214420","23.287","0.0013","6.2354","0.0004","5.9794","0.0004","90","","90","","90","","868.23","0.09","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","propylamine","","- C3 H9 N -","- C3 H9 N -","- C24 H72 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0777","0.0598","","0.1494","0.1337","0.1494","","","","","","0.9898","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214421","26.7852","0.0008","6.8166","0.0002","5.6703","0.0002","90","","90","","90","","1035.31","0.06","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","Butylamine","","- C4 H11 N -","- C4 H11 N -","- C32 H88 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0562","0.0471","","0.1423","0.1219","0.1423","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214422","33.546","0.004","6.4878","0.0008","5.7295","0.0007","90","","90","","90","","1247","0.3","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","pentylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1555","0.0612","","0.1959","0.1373","0.1959","","","","","","0.9616","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214460","7.4519","0.0006","19.2623","0.0015","12.3897","0.0009","90","","90","","90","","1778.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H5 Eu0.44 N O5 Y0.56 -","- C7 H5 Eu0.44 N O5 Y0.56 -","- C56 H40 Eu3.52 N8 O40 Y4.48 -","8","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.028","0.023","","","0.0537","0.0553","","","","","","1.151","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214511","8.557","0.002","14.816","0.003","31.189","0.006","90","","90","","90","","3954.2","1.4","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl7 I2 N O2 -","- C34 H44 Cl7 I2 N O2 -","- C136 H176 Cl28 I8 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0405","0.0267","","","0.0497","0.0537","","","","","","1.086","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214512","8.9174","0.0009","15.2187","0.0012","31.429","0.003","90","","90","","90","","4265.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl6 I3 N O2 -","- C34 H44 Cl6 I3 N O2 -","- C136 H176 Cl24 I12 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0524","0.0341","","","0.0736","0.0869","","","","","","1.079","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214672","9.9176","0.0008","32.983","0.003","12.9111","0.0009","90","","90","","90","","4223.4","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Gd N2 O10 -","- C13 H8 Br2 Cu2 Gd N2 O10 -","- C104 H64 Br16 Cu16 Gd8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.115","0.062","","","0.1116","0.1268","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214673","9.8237","0.0017","32.797","0.006","12.751","0.002","90","","90","","90","","4108.2","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Er N2 O10 -","- C13 H8 Br2 Cu2 Er N2 O10 -","- C104 H64 Br16 Cu16 Er8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1221","0.0868","","","0.1879","0.2021","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214690","11.1508","0.0007","7.3171","0.0005","24.5176","0.0016","90","","90","","90","","2000.4","0.2","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H18 F6 O4 -","- C23 H18 F6 O4 -","- C92 H72 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0436","0.0383","","","0.0981","0.1017","","","","","","1.051","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214691","11.2984","0.001","7.2275","0.0006","24.573","0.002","90","","90","","90","","2006.6","0.3","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl F6 O4 -","- C22 H15 Cl F6 O4 -","- C88 H60 Cl4 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0475","0.0432","","","0.1037","0.1063","","","","","","1.089","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214722","9.913","0.002","19.061","0.004","17.668","0.004","90","","90","","90","","3338.4","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Mn N6 O15 -","- C30 H38 Mn N6 O15 -","- C120 H152 Mn4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0467","0.0366","","","0.087","0.0921","","","","","","1.068","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214723","10.1093","0.0011","19.192","0.002","17.7243","0.0019","90","","90","","90","","3438.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cd N6 O15 -","- C30 H38 Cd N6 O15 -","- C120 H152 Cd4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0335","0.0274","","","0.065","0.0679","","","","","","1.032","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7215048","7.933","0.002","13.2295","0.0017","22.388","0.005","90","","90","","90","","2349.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1176","0.0514","","","0.108","0.1417","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215176","9.694","0.005","24.806","0.001","15.879","0.0007","90","","90","","90","","3818","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co3 N2 O17 -","- C36 H34 Co3 N2 O17 -","- C144 H136 Co12 N8 O68 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0422","0.0348","","","0.0879","0.0935","","","","","","1.063","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215177","9.678","0.0004","24.873","0.0012","15.827","0.0008","90","","90","","90","","3809.9","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 N2 O17 Zn3 -","- C36 H34 N2 O17 Zn3 -","- C144 H136 N8 O68 Zn12 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0406","0.0317","","","0.0753","0.0799","","","","","","1.08","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215210","24.636","0.003","9.2458","0.0013","22.123","0.003","90","","90","","90","","5039.2","1.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 N8 O7 S3 Zn -","- C20 H22 N8 O7 S3 Zn -","- C160 H176 N64 O56 S24 Zn8 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0495","0.042","","","0.1071","0.1141","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215211","24.729","0.005","9.3762","0.0019","22.271","0.005","90","","90","","90","","5163.8","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 Mn N8 O7 S3 -","- C20 H22 Mn N8 O7 S3 -","- C160 H176 Mn8 N64 O56 S24 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.077","0.0481","","","0.1106","0.1308","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215409","25.379","0.003","17.642","0.004","16.484","0.005","90","","90","","90","","7380","3","300","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H33 N2 Ni O6 S10 -","- C26 H33 N2 Ni O6 S10 -","- C208 H264 N16 Ni8 O48 S80 -","8","1","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","","0.049","","","","0.1361","","","","","","1.043","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216347","7.9663","0.0009","11.4723","0.0013","14.0805","0.0017","90","","90","","90","","1286.8","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Ag O6 P -","- C14 H10 Ag O6 P -","- C56 H40 Ag4 O24 P4 -","4","0.5","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0293","0.0277","","","0.0807","0.082","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216407","21.096","0.012","10.897","0.006","18.875","0.011","90","","90","","90","","4339","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1534","0.075","","","0.1514","0.1844","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216409","21.1497","0.0019","10.9266","0.0009","18.6978","0.0016","90","","90","","90","","4321","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1164","0.0513","","","0.1206","0.1486","","","","","","1.002","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216632","9.4072","0.0003","12.735","0.0003","17.8919","0.0005","90","","90","","90","","2143.46","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0965","0.0526","","","0.1295","0.1543","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216662","32.4147","0.0016","9.9354","0.0005","7.4776","0.0004","90","","90","","90","","2408.2","0.2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-57 [2-(3-pyridyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C22 H14 F3 I3 N6 -","- C22 H14 F3 I3 N6 -","- C88 H56 F12 I12 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.042","0.0343","","","0.0781","0.0805","","","","","","1.157","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216670","33.0655","0.0016","9.8284","0.0005","7.3176","0.0003","90","","90","","90","","2378.08","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-59 [2-(2-pyrazinyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C20 H12 F3 I3 N8 -","- C20 H12 F2.5 I3 N8 -","- C80 H48 F10 I12 N32 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0269","0.0212","","","0.046","0.048","","","","","","1.046","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216794","28.732","0.0001","13.5996","0.0001","17.575","0.0001","90","","90","","90","","6867.32","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H24 Cl Mn0.5 N4 -","- C33 H24 Cl Mn0.5 N4 -","- C264 H192 Cl8 Mn4 N32 -","8","1","","Hua, Carol; D'Alessandro, Deanna M.","A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties","CrystEngComm","2014","16","28","6331","","10.1039/c3ce42603c","","","1.54178","CuKα","","0.0371","0.0342","","","0.0896","0.0941","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216858","15.0968","0.0014","23.363","0.002","16.7676","0.0016","90","","90","","90","","5914","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 Cd N4 O4 -","- C34 H22 Cd N4 O4 -","- C272 H176 Cd8 N32 O32 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0613","0.0456","","","0.1353","0.1505","","","","","","1.053","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7217000","27.0432","0.0017","8.0754","0.0005","27.1949","0.0017","90","","90","","90","","5938.9","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Cd N4 O8 -","- C35 H26 Cd N4 O8 -","- C280 H208 Cd8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0507","0.0309","","","0.0538","0.0577","","","","","","1.001","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217001","26.78","0.002","8.1675","0.0007","26.928","0.002","90","","90","","90","","5889.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Mn N4 O8 -","- C35 H26 Mn N4 O8 -","- C280 H208 Mn8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0972","0.0488","","","0.0978","0.1088","","","","","","1.007","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217002","26.4977","0.0019","8.1948","0.0006","26.8556","0.0006","90","","90","","90","","5831.5","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Fe N4 O8 -","- C35 H26 Fe N4 O8 -","- C280 H208 Fe8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0731","0.0406","","","0.0905","0.0984","","","","","","1.007","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217096","27.5591","0.0013","9.5215","0.0005","15.8189","0.0007","90","","90","","90","","4150.9","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C192 H192 N32 O16 -","8","1","","Banerjee, Prabal; Pandey, Ashok Kumar","Synthesis of Functionalized Dispiro-oxindoles through Azomethine Ylide Dimerization and Mechanistic Studies to Explain the Diastreoslectivity","RSC Advances","2014","","","","","10.1039/C4RA01492H","","","0.71073","MoKα","","0.0752","0.0561","","","0.1566","0.1671","","","","","","1.049","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217112","21.6397","0.0033","8.3029","0.001","7.1004","0.0007","90","","90","","90","","1275.7","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,3-bis(dimethylamino)-2,4-dihydroxy-cyclobutendiylium dihydroxide, bis(inner salt), tetrahydrate.","","- C4 H10 N O3 -","- C4 H10 N O3 -","- C32 H80 N8 O24 -","8","1","","Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo","Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements","Physical Chemistry Chemical Physics","1999","1","7","1469","","10.1039/a808403c","","","0.71073","MoKa","","0.046","0.0372","","0.1052","0.0971","","","","1.072","1.103","1.103","","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217857","17.382","0.004","10.705","0.002","9.608","0.002","90","","90","","90","","1787.8","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-Isopropyl-DL-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.1073","0.0408","","","0.0981","0.1292","","","","","","1.012","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218061","17.359","0.0006","12.5591","0.0004","25.123","0.0007","90","","90","","90","","5477.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H40 Cu2 Mo6 N12 O19 -","- C48 H40 Cu2 Mo6 N12 O19 -","- C192 H160 Cu8 Mo24 N48 O76 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.082","0.0438","","","0.0716","0.0861","","","","","","0.987","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218188","23.362","0.002","18.6642","0.0016","14.8125","0.0013","90","","90","","90","","6458.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H70 Cd N4 O18 -","- C72 H70 Cd N4 O18 -","- C288 H280 Cd4 N16 O72 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1613","0.0659","","","0.1488","0.1852","","","","","","0.847","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218427","12.5992","0.0006","7.8436","0.0004","30.4801","0.0013","90","","90","","90","","3012.1","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H31 Cu2 N6 O10.5 -","- C26 H30 Cu2 N6 O10.52 -","- C104 H120 Cu8 N24 O42.08 -","4","0.5","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","0.71073","MoKα","","0.0507","0.033","","","0.0772","0.0843","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218823","23.1688","0.0016","8.5376","0.0004","20.5949","0.0012","90","","90","","90","","4073.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H22 F N O3 S -","- C23 H22 F N O3 S -","- C184 H176 F8 N8 O24 S8 -","8","1","","XUE, Jijun; Zhang, Jie; Shao, Jidong; Wang, Yongxiang; Li, Ying","One Pot Hydroamination/[4+3] Cycloaddition: Synthesis towards the Cyclohepta[b]indole Core of Silicine and Ervatamine","RSC Adv.","2014","","","","","10.1039/C4RA13249A","","","0.71073","MoKα","","0.1263","0.0734","","","0.1787","0.2196","","","","","","1.032","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218961","8.4886","0.0011","20.972","0.003","8.0409","0.001","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N2 O8 Tb -","- C12 H9 N2 O8 Tb -","- C48 H36 N8 O32 Tb4 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0211","0.0168","","","0.0397","0.042","","","","","","1.036","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218962","8.439","0.002","20.933","0.005","8.016","0.002","90","","90","","90","","1416.1","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Dy N2 O8 -","- C12 H9 Dy N2 O8 -","- C48 H36 Dy4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0275","0.0179","","","0.0395","0.0438","","","","","","1.061","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218963","8.446","0.004","21.009","0.01","8.016","0.004","90","","90","","90","","1422.4","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Ho N2 O8 -","- C12 H9 Ho N2 O8 -","- C48 H36 Ho4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0219","0.0196","","","0.0533","0.0555","","","","","","1.041","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218964","8.4022","0.0015","20.939","0.004","7.9883","0.0014","90","","90","","90","","1405.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Er N2 O8 -","- C12 H9 Er N2 O8 -","- C48 H36 Er4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0218","0.0147","","","0.0319","0.0349","","","","","","1.046","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219179","8.2247","0.0001","33.0397","0.0005","11.3562","0.0002","90","","90","","90","","3085.95","0.08","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cu2 N12 O -","- C32 H28 Cu2 N12 O -","- C128 H112 Cu8 N48 O4 -","4","0.5","","Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi","Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties","RSC Adv.","2014","","","","","10.1039/C4RA15191G","","","0.71073","MoKα","","0.0522","0.0358","","","0.0827","0.0976","","","","","","1.081","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219222","7.8197","0.0004","17.8112","0.0009","26.5942","0.0014","90","","90","","90","","3704","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 Co F2 N6 O4 -","- C18 H12 Co F2 N6 O4 -","- C144 H96 Co8 F16 N48 O32 -","8","1","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0363","0.0278","","","0.0649","0.0692","","","","","","1.025","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219606","13.873","0.009","11.275","0.007","14.334","0.01","90","","90","","90","","2242","3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H8 N9 O5.5 -","- C5 H8 N9 O5.5 -","- C40 H64 N72 O44 -","8","1","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.0948","0.0638","","","0.131","0.1702","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220096","15.586","0.004","27.054","0.006","33.449","0.008","90","","90","","90","","14104","6","293","2","293","2","","","","","","","","10","P b c n","-P 2n 2ab","60","","","","- C54 H60 Au4 Cl2 F6 N3 O P2 S6 Sb -","- C54 H60 Au4 Cl2 F6 N3 O P2 S6 Sb -","- C432 H480 Au32 Cl16 F48 N24 O8 P16 S48 Sb8 -","8","1","","Chen, Zhong-Ning; Li, Jia; Zhu, Xiaofeng; Zhang, Li-Yi","Structures and Luminescent Properties of Diethyldithiocarbamate-Bridged Polynuclear Gold(I) Cluster Complexes with Diphosphine/Triphosphine","RSC Adv.","2015","","","","","10.1039/C5RA01831E","","","0.71073","MoKα","","0.0591","0.0509","","","0.145","0.1522","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","171080","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221894","24.996","0.005","9.4441","0.0019","14.619","0.003","90","","90","","90","","3451","1.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Wang, Kai; Wang, Shipan; Wei, Jinbei; Miao, Yang; Zhang, Zhenyu; Zhang, Zuolun; Liu, Yu; Wang, Yue","Structurally simple phenanthroimidazole-based bipolar hosts for high-performance green and red electroluminescent devices","RSC Adv.","2015","","","","","10.1039/C5RA14570H","","","0.71073","MoKα","","0.0753","0.0462","","","0.1102","0.1213","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222474","15.5051","0.0007","12.2437","0.0005","18.0992","0.0005","90","","90","","90","","3435.9","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H33 N3 O20 Zn3 -","- C33 H33 N3 O20 Zn3 -","- C132 H132 N12 O80 Zn12 -","4","0.5","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0599","0.0463","","","0.1185","0.1274","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222633","4.708","","16.223","","7.563","","90","","90","","90","","577.646","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(P (N H2)4) Cl","","- Cl H8 N4 P -","- Cl H8 N4 P -","- Cl4 H32 N16 P4 -","4","0.5","","Horstmann, S.; Schnick, W.","Synthese, Kristallstruktur und Eigenschaften von Tetraaminophosphoniumchlorid (P(NH2)4)Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","127","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222950","7.427","","20.154","","17.733","","90","","90","","90","","2654.34","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na5 In Te4","","- In Na5 Te4 -","- In Na5 Te4 -","- In8 Na40 Te32 -","8","1","","Eisenmann, B.; Zagler, R.; Hofmann, A.","Na5InTe4 und Na5In2Te6 - Erste Beispiele fuer Neso- sowie Ditelluro-verbrueckte Inotelluroindate","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","8","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223075","20.669","0.003","13.906","0.003","12.406","0.002","90","","90","","90","","3565.8","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H18 B0.5 N2.5 -","- C22 H18 B0.5 N2.5 -","- C176 H144 B4 N20 -","8","1","","Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy","Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.","Physical chemistry chemical physics : PCCP","2015","17","45","30424","30432","10.1039/c5cp05378a","","","0.71073","MoKα","","0.1165","0.0555","","","0.1684","0.2508","","","","","","0.8987","","","","has coordinates","171364","2020-10-21","18:00:00",""
"7223108","11.124","0.005","21.76","0.005","22.119","0.005","90","0.005","90","0.005","90","0.005","5354","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Dy F9 O9 -","- C18 H18 Dy F9 O9 -","- C144 H144 Dy8 F72 O72 -","8","1","","chu, wenyi; Sun, Qingyan; Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Guangming","Luminescent single molecule magnets of a series of β-diketone dysprosium complexes","RSC Adv.","2015","","","","","10.1039/C5RA17358B","","","0.71069","MoKα","","0.0674","0.0528","","","0.1369","0.1495","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223137","22.1708","0.0007","8.7244","0.0002","7.7214","0.0002","90","","90","","90","","1493.53","0.07","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 N2 O6 S2 Zn -","- C6 H20 N2 O6 S2 Zn -","- C24 H80 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0381","0.0282","","","0.0622","0.0653","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223341","14.6159","0.0005","9.9444","0.0003","28.7738","0.0012","90","","90","","90","","4182.2","0.3","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C176 H144 N16 O32 -","8","1","","Mandal, Sandip; Sahana, Animesh; Banerjee, Arnab; Safin, Damir; Babashkina, Maria G.; Robeyns, Koen; Verkaart, Sjoerd; Hoenderop, Joost; Mitoraj, Mariusz Paweł; Garcia, Yann; Das, Debasis","A smart rhodamine-pyridine conjugate for bioimaging of thiocyanate in living cells cells","RSC Adv.","2015","","","","","10.1039/C5RA21838A","","","0.71073","MoKα","","0.0823","0.0505","","","0.1158","0.1327","","","","","","1.025","","","","has coordinates","170512","2020-10-21","18:00:00",""
"7223342","27.1164","0.0012","14.8221","0.0007","20.8971","0.001","90","","90","","90","","8399","0.7","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H41 N3 S2 -","- C52 H41 N3 S2 -","- C416 H328 N24 S16 -","8","1","","Sharma, Ritambhara; Lee, Way-Zen; Ravikanth, Magalampalli","Formation of Unusual Dithiaphlorins from Condensation of 2,5-Bis(arylhydroxymethyl)thiophene and Pyrrole","RSC Adv.","2015","","","","","10.1039/C5RA21947G","","","0.71073","MoKα","","0.1171","0.0826","","","0.2335","0.2527","","","","","","1.102","","","","has coordinates,has disorder","170513","2020-10-21","18:00:00",""
"7223379","16.941","0.004","8.827","0.002","20.578","0.005","90","","90","","90","","3077.2","1.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-bis(2-pyridyl)guanidinium hemisulfate","","- C11 H19 N5 O5.5 S0.5 -","- C11 H19 N5 O5.5 S0.5 -","- C88 H152 N40 O44 S4 -","8","1","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.1374","0.0672","","","0.1558","0.184","","","","","","0.966","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223430","15.7449","0.0009","10.762","0.0007","18.2213","0.0012","90","","90","","90","","3087.5","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","1","","Kankala, Shravankumar; pagadala, ramakanth; Maddila, Suresh; Vasam, Chandra Sekhar; Jonnalagadda, Sreekantha Babu","Silver(I)-N-heterocyclic carbene catalyzed multicomponent reactions: a facile synthesis of multisubstituted pyridines","RSC Adv.","2015","","","","","10.1039/C5RA16582B","","x-ray","0.71073","MoKα","","0.0701","0.0577","","","0.1617","0.1728","","","","","","1.13","","","","has coordinates","170916","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223561","13.339","0.0012","9.4207","0.0007","20.8663","0.0014","90","","90","","90","","2622.1","0.4","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 I2 Mn N4 O2 -","- C24 H18 Cl2 I2 Mn N4 O2 -","- C96 H72 Cl8 I8 Mn4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.0648","0.0422","","","0.0774","0.0827","","","","","","1.072","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7223987","11.3832","0.0004","7.8114","0.0003","16.5506","0.0006","90","","90","","90","","1471.66","0.09","100","2","100","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Perbromonaphthalene","Octabromonaphthalene","","- C10 Br8 -","- C10 Br8 -","- C40 Br32 -","4","0.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0148","0.0109","","","0.0223","0.0227","","","","","","0.864","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7224067","18.537","0.002","10.3318","0.0016","9.9527","0.001","90","","90","","90","","1906.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N6 O2 -","- C20 H16 N6 O2 -","- C80 H64 N24 O8 -","4","0.5","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones","RSC Adv.","2016","","","","","10.1039/C5RA27907K","","","0.71073","MoKα","","0.1502","0.0684","","","0.0972","0.1236","","","","","","1.053","","","","has coordinates","175319","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224679","14.294","0.0005","16.7484","0.0006","22.1104","0.0007","90","","90","","90","","5293.3","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpa","Cd-MOF 1","","- C24 H22 Cd N3 O4 -","- C24 H22 Cd N3 O4 -","- C192 H176 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.064","0.037","","","0.0774","0.0866","","","","","","1.018","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224680","14.094","0.005","17.248","0.005","22.357","0.005","90","0.005","90","0.005","90","0.005","5435","3","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpee","Cd-MOF 2","","- C24 H19 Cd N3 O4 -","- C24 H19 Cd N3 O4 -","- C192 H152 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.1064","0.0634","","","0.1311","0.1431","","","","","","1.102","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224784","14.3185","0.0016","23.454","0.004","8.7139","0.0011","90","","90","","90","","2926.4","0.7","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C136 H116 N12 O24 -","4","0.5","","Prieto, Pilar; Torres, Iván; Carrillo, Jose Ramon; Diaz, Angel; Martín, Raúl; Gómez, Maria Victoria; Stegemann, Linda; Strassert, Cristian; Orduna, Jesus; Buendía, Julia; Greciano, Elisa E.; Valera, Jorge Santos; Matesanz, Emilio; Sanchez, Luis","Self-assembly of T-shape 2H-benzo[d][1,2,3]-triazoles. Optical wadeguide and photophysical properties","RSC Adv.","2016","","","","","10.1039/C6RA02473D","","x-ray","0.71073","MoKα","","0.1679","0.0711","","","0.1593","0.2113","","","","","","1.011","","","","has coordinates","180705","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7225077","15.4558","0.0007","18.7716","0.001","26.327","0.0012","90","","90","","90","","7638.3","0.6","294.3","0.5","294.3","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H21 N4 O2.5 -","- C20 H21 N4 O2.5 -","- C320 H336 N64 O40 -","16","2","","Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang","Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions","Green Chem.","2016","18","15","4216","","10.1039/C6GC00724D","","","0.71073","MoKα","","0.0955","0.0561","","","0.1147","0.1366","","","","","","1.0392","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225557","20.3736","0.0016","21.5156","0.0016","13.6999","0.001","90","","90","","90","","6005.4","0.8","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H41 Cl2 O2 P Zr -","- C30 H41 Cl2 O2 P Zr -","- C240 H328 Cl16 O16 P8 Zr8 -","8","1","","Li, Yulian; Yang, Jixing; Wang, Bin; Li, Yuesheng","Efficient copolymerization of ethylene with norbornene and its derivatives using half-metallocene zirconium(IV) catalysts","RSC Adv.","2016","","","","","10.1039/C6RA11501B","","","0.71073","MoKα","","0.0934","0.0579","","","0.1149","0.1288","","","","","","1.092","","","","has coordinates","183528","2020-10-21","18:00:00",""
"7225645","15.8817","0.0011","17.5053","0.0015","17.8702","0.0014","90","","90","","90","","4968.2","0.7","290","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H21 Cd N4 O7.5 -","- C20 H21 Cd N4 O7.5 -","- C160 H168 Cd8 N32 O60 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.1087","0.0875","","","0.1531","0.1917","","","","","","1.043","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","190385","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226106","16.838","0.003","20.449","0.004","31.77","0.006","90","","90","","90","","10939","4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C109 H127 Cl6 N19 O13 Re3 -","- C106 H122 Cl6 N18 O12 Re3 -","- C424 H488 Cl24 N72 O48 Re12 -","4","0.5","","Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.","Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand","RSC Adv.","2016","","","","","10.1039/C6RA12872F","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0794","0.0479","","","0.1108","0.1244","","","","","","1.016","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7226373","16.677","0.003","9.16","0.0018","15.041","0.003","90","","90","","90","","2297.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Dy N7 O9 -","- C20 H16 Dy N7 O9 -","- C80 H64 Dy4 N28 O36 -","4","0.5","","Xiao, Peng; Wang, Ping; Fan, Ruiqing; Du, Xi; Chen, Wei; Zhang, Huijie; Song, Yang; Yang, Yulin","Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.","RSC Adv.","2016","","","","","10.1039/C6RA14896D","","","0.71073","MoKα","","0.0305","0.0243","","","0.0578","0.0614","","","","","","1.086","","","","has coordinates","186015","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226511","13.79","0.06","7.03","0.03","29.43","0.11","90","","90","","90","","2853","2","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H10 N6 O -","- C16 H10 N6 O -","- C128 H80 N48 O8 -","8","1","","Mostafa, Mostafa S.; Elnagdi, Mohamed H.; Al-Mousawi, Saleh","Use of a novel multicomponent reaction under high pressure for the efficient construction of the new pyridazino[5,4,3-de][1,6]naphthyridine tricyclic system","RSC Adv.","2016","","","","","10.1039/C6RA19535K","","","0.71075","MoKα","","","0.0794","","","","0.2455","","","","","","0.974","","","","has coordinates","186316","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226736","19.711","0.005","8.983","0.002","26.52","0.006","90","","90","","90","","4695.7","1.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H34 N6 O2 -","- C48 H34 N6 O2 -","- C192 H136 N24 O8 -","4","0.5","","Salpage, Sahan R.; Xu, Yuewen; Som, Bozumeh; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Pyridyl-phenylethynylene Bis-Urea Macrocycle: Self-assembly and Utility as a Nanoreactor for the Selective Photoreaction of Isoprene","RSC Adv.","2016","","","","","10.1039/C6RA18681E","","","0.71073","MoKα","","0.0909","0.0596","","","0.1732","0.1868","","","","","","1.08","","","","has coordinates","187016","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227669","19.4377","0.0015","30.6822","0.0012","9.1127","0.0008","90","","90","","90","","5434.7","0.7","253","","253","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H22 O8 -","- C34 H22 O8 -","- C136 H88 O32 -","4","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.172","0.1026","","","0.3133","0.3439","","","","","","1.36","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7228083","11.15","0.003","13.064","0.003","16.411","0.004","90","","90","","90","","2390.5","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B4 H11.25 K2 O12.63 -","- B4 H11.2 K2 O12.6 -","- B32 H89.6 K16 O100.8 -","8","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0683","0.0526","","","0.1539","0.167","","","","","","1.047","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228315","7.0119","0.0014","20.686","0.004","16.829","0.003","90","","90","","90","","2441","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 N8 O9 S -","- C20 H24 N8 O9 S -","- C80 H96 N32 O36 S4 -","4","0.5","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1396","0.0891","","","0.2198","0.2496","","","","","","1.094","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228362","7.1454","0.0004","17.2601","0.0009","22.297","0.0011","90","","90","","90","","2749.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","([6]helicene)(F4TCNQ)","","","- C38 H16 F4 N4 -","- C38 H16 F4 N4 -","- C152 H64 F16 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0375","0.0321","","","0.0871","0.0915","","","","","","1.045","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228531","27.391","0.002","32.349","0.003","14.733","0.0013","90","0.005","90","0.005","90","0.005","13054.5","1.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C88 H136 Mo12 N3 O50 P Zn4 -","- C88 H132 Mo12 N3 O50 P Zn4 -","- C352 H528 Mo48 N12 O200 P4 Zn16 -","4","0.5","","Nie, Zhong-Bin; Zhang, Min; Su, Tan; Zhao, Liang; Wang, Yuan-Yuan; Sun, Guang-Yan; Su, Zhong-Min","Electrochemical and diffuse reflectance study on tetrahedral ε-Keggin-based metal‒organic frameworks","RSC Adv.","2017","7","50","31544","","10.1039/C7RA04771A","","","0.71069","MoKα","","0.1317","0.0714","","","0.1993","0.2534","","","","","","1.069","","","","has coordinates","198027","2020-10-21","18:00:00",""
"7228882","24.2686","0.0005","10.8127","0.0002","29.2829","0.0007","90","","90","","90","","7684.1","0.3","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H40 N2 O3 -","- C46 H40 N2 O3 -","- C368 H320 N16 O24 -","8","1","","Xu, Ya-Lun; Fu, Ji-Ya; Liu, Chun-Hui; Ding, Tao","Synthesis of tetrasubstituted 1H-indazolo[1,2-b]phthalazinedione derivatives bearing three-dimensional turbine-type structures via domino reaction of phthalhydrazide and vinylketones","RSC Adv.","2017","7","61","38733","","10.1039/C7RA06856E","","","1.54184","CuKα","","0.0692","0.0515","","","0.1369","0.1515","","","","","","1.032","","","","has coordinates","199663","2020-10-21","18:00:00",""
"7229009","18.7049","0.0011","11.8936","0.0007","23.2743","0.0014","90","","90","","90","","5177.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H42 N O2 Zn0.5 -","- C28 H42 N O2 Zn0.5 -","- C224 H336 N8 O16 Zn4 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0668","0.0375","","","0.0887","0.0957","","","","","","0.945","","","","has coordinates","200004","2020-10-21","18:00:00",""
"7229099","14.934","0.002","16.586","0.003","10.0901","0.0016","90","","90","","90","","2499.3","0.7","293.15","","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cd N6 O5 -","- C26 H20 Cd N6 O5 -","- C104 H80 Cd4 N24 O20 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.710747","MoKα","","0.0362","0.0277","","","0.07","0.0734","","","","","","1.041","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229248","18.117","0.0004","9.8448","0.0003","10.7798","0.0003","90","","90","","90","","1922.67","0.09","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,3-diaminopropane","","","- C7 H20 N2 O14 P4 Zn3 -","- C7 H20 N2 O14 P4 Zn3 -","- C28 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0361","0.0271","","","0.0768","0.0978","","","","","","1.041","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229250","18.1736","0.0007","9.9376","0.0006","10.3543","0.0004","90","","90","","90","","1870.01","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,2 diaminopropane","","","- C7 H17 N3 O14 P4 Zn3 -","- C7 H17 N3 O14 P4 Zn3 -","- C28 H68 N12 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0663","0.0503","","","0.1075","0.1147","","","","","","1.056","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229342","23.662","0.0005","17.8187","0.0005","12.4666","0.0003","90","","90","","90","","5256.2","0.2","154.89","0.1","154.89","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C168 H216 Cl16 N16 Ni8 O72 Sr4 -","4","0.5","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","x-ray","0.71073","MoKα","","0.082","0.0479","","","0.0888","0.1022","","","","","","1.016","","","","has coordinates","202050","2020-10-21","18:00:00",""
"7229694","9.126","0.002","10.606","0.001","25.328","0.003","90","","90","","90","","2451.5","0.7","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0386","0.0383","","","0.1024","0.1028","","","","","","1.06","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229695","9.147","0.002","10.64","0.001","25.365","0.002","90","","90","","90","","2468.6","0.6","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0419","0.0416","","","0.1081","0.1085","","","","","","1.065","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229696","9.158","0.002","10.658","0.001","25.383","0.002","90","","90","","90","","2477.5","0.6","220","2","220","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0431","0.0426","","","0.1118","0.1124","","","","","","1.099","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229697","9.116","0.002","10.59","0.001","25.311","0.003","90","","90","","90","","2443.5","0.7","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0387","0.0385","","","0.101","0.1011","","","","","","1.083","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229698","9.203","0.002","10.737","0.001","25.458","0.002","90","","90","","90","","2515.6","0.6","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0445","0.0436","","","0.1192","0.1207","","","","","","1.025","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229699","9.107","0.002","10.575","0.001","25.296","0.002","90","","90","","90","","2436.2","0.6","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.035","0.0348","","","0.0892","0.0894","","","","","","1.061","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229700","9.136","0.002","10.622","0.001","25.346","0.003","90","","90","","90","","2459.6","0.7","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0397","0.0394","","","0.1034","0.1037","","","","","","1.071","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229701","9.179","0.002","10.697","0.001","25.42","0.002","90","","90","","90","","2495.9","0.6","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0428","0.0422","","","0.1099","0.1106","","","","","","1.071","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229702","9.168","0.002","10.677","0.001","25.402","0.001","90","","90","","90","","2486.5","0.6","240","2","240","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0413","0.0406","","","0.1062","0.1069","","","","","","1.096","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229703","9.191","0.004","10.716","0.003","25.44","0.007","90","","90","","90","","2505.6","1.5","280","2","280","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0507","0.0481","","","0.1249","0.1305","","","","","","1.079","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229997","8.0218","0.0009","14.3076","0.0015","25.258","0.003","90","","90","","90","","2898.9","0.6","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","Theophylline:4hydroxy-benzamide","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C112 H120 N40 O32 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0598","0.0425","","","0.0902","0.0991","","","","","","1.02","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7230092","17.0744","0.0003","20.5494","0.0004","11.4918","0.0002","90","","90","","90","","4032.11","0.13","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","SuperNova","","- C35 H41 Mn3 N5 O14 -","- C35 H41 Mn3 N5 O14 -","- C140 H164 Mn12 N20 O56 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0625","0.0418","","","0.0947","0.1032","","","","","","1.129","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230153","16.311","0.0003","13.4662","0.0002","14.4537","0.0002","90","","90","","90","","3174.71","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl2 N3 O2 -","- C16 H12 Cl2 N3 O2 -","- C128 H96 Cl16 N24 O16 -","8","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0474","0.0437","","","","0.1256","","","","","","1.049","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230279","10.7699","0.0005","22.3609","0.0009","15.1262","0.0008","90","","90","","90","","3642.8","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H46 Co2 Mo2 N8 O28 -","- C16 H44 Co2 Mo2 N8 O28 -","- C64 H176 Co8 Mo8 N32 O112 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0659","0.0423","","","0.0855","0.0946","","","","","","1.033","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230340","23.705","0.002","5.4148","0.0006","5.4345","0.0006","90","","90","","90","","697.56","0.12","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bismuth Tungstate","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","0.5","","Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang","Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties","CrystEngComm","2018","20","19","2669","","10.1039/C8CE00189H","","","0.71073","MoKα","","0.0313","0.0258","","","0.0674","0.071","","","","","","1.071","","","","has coordinates","229017","2020-10-21","18:00:00",""
"7230420","27.3945","0.0004","15.206","0.0002","11.1953","0.0002","90","","90","","90","","4663.52","0.12","130","2","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H68 Br2 Cl6 N2 -","- C40 H68 Br2 Cl6 N2 -","- C160 H272 Br8 Cl24 N8 -","4","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0436","0.0391","","","0.0937","0.0967","","","","","","1.047","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230421","57.9542","0.0014","8.3909","0.0002","10.5626","0.0003","90","","90","","90","","5136.5","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H41 N O4 S -","- C25 H41 N O4 S -","- C200 H328 N8 O32 S8 -","8","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0305","0.0291","","","0.0839","0.0856","","","","","","1.056","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230469","14.7747","0.0003","11.8462","0.0003","13.9054","0.0003","90","","90","","90","","2433.78","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","J-A","","- C36 H28 N2 -","- C36 H28 N2 -","- C144 H112 N8 -","4","0.5","","Xia, Zeming; Guo, Xiaoyu; Zhu, Yanpeng; Wang, Yonggen; Wang, Jiaobing","A julolidine-fused anthracene derivative: synthesis, photophysical properties, and oxidative dimerization","RSC Advances","2018","8","24","13588","","10.1039/C8RA02205D","","x-ray","1.54184","CuKα","","0.0476","0.0409","","","0.1119","0.1181","","","","","","1.032","","","","has coordinates","207316","2020-10-21","18:00:00",""
"7230483","38.7879","0.001","8.0972","0.0002","8.3462","0.0002","90","","90","","90","","2621.32","0.11","120","","120","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C36 H32 N2 -","- C36 H32 N2 -","- C144 H128 N8 -","4","0.5","","Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.","Physical chemistry chemical physics : PCCP","2018","20","17","11867","11875","10.1039/c8cp01636d","","x-ray","1.54184","CuKα","","0.07","0.0438","","","0.0915","0.1015","","","","","","1.034","","","","has coordinates,has disorder","230918","2020-10-21","18:00:00",""
"7230749","28.4964","0.0013","8.1448","0.0003","15.5302","0.0007","90","","90","","90","","3604.5","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Sulfathiazoium besilate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate","","- C15 H15 N3 O5 S3 -","- C15 H15 N3 O5 S3 -","- C120 H120 N24 O40 S24 -","8","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.1032","0.0537","","","0.0998","0.122","","","","","","1.102","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230826","14.5049","0.0005","8.5031","0.0004","30.2853","0.0013","90","","90","","90","","3735.3","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0494","0.0288","","","0.0551","0.0577","","","","","","0.858","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230877","15.6022","0.0006","16.5942","0.0006","16.3829","0.0006","90","","90","","90","","4241.6","0.3","283","2","283","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C148 H140 Ag8 Cl12 N16 O16 P8 S4 -","4","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1364","0.0689","","","0.2027","0.2548","","","","","","1.026","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230880","15.3788","0.0005","17.2961","0.0006","16.4091","0.0006","90","","90","","90","","4364.7","0.3","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H17 Ag N3 O4 P -","- C20 H17 Ag N3 O4 P -","- C160 H136 Ag8 N24 O32 P8 -","8","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1056","0.071","","","0.1961","0.2228","","","","","","1.036","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230981","26.66","0.005","7.272","0.0015","27.642","0.006","90","","90","","90","","5359","1.9","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H54 Co2 N8 O18 -","- C60 H54 Co2 N8 O18 -","- C240 H216 Co8 N32 O72 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0929","0.0781","","","0.2057","0.2171","","","","","","1.032","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7231086","19.954","0.003","9.7592","0.0012","7.2875","0.001","90","","90","","90","","1419.1","0.3","173","0.1","173","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0582","0.0449","","","0.099","0.1091","","","","","","1.059","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231273","24.1738","0.0004","9.45562","0.00019","17.836","0.0003","90","","90","","90","","4076.92","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F3 I3 N2 O -","- C18 H10 F3 I3 N2 O -","- C144 H80 F24 I24 N16 O8 -","8","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0351","0.0247","","","0.0501","0.0539","","","","","","1.039","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231380","29.349","0.002","11.9764","0.0009","11.579","0.0009","90","","90","","90","","4070","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cl N2 O5 -","- C20 H23 Cl N2 O5 -","- C160 H184 Cl8 N16 O40 -","8","1","","Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing","Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner","RSC Advances","2018","8","51","28874","","10.1039/C8RA05264F","","","0.71073","MoKα","","0.0673","0.063","","","0.1718","0.1755","","","","","","1.119","","","","has coordinates","209706","2020-10-21","18:00:00",""
"7231631","8.7892","0.0003","7.4533","0.0002","16.4801","0.0004","90","","90","","90","","1079.59","0.05","175","","175","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H4 Na2 O13 Si4 Sn -","- H4 Na2 O13 Si4 Sn -","- H16 Na8 O52 Si16 Sn4 -","4","0.5","","Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.","Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase","CrystEngComm","2018","20","46","7479","","10.1039/C8CE01548A","","","0.71073","MoKα","","0.0735","0.0714","","0.0667","0.0653","0.0653","","","","","","0.8506","","","","has coordinates","229024","2020-10-21","18:00:00",""
"7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231765","13.7262","0.0013","20.841","0.002","18.9308","0.0018","90","","90","","90","","5415.5","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H25 Co N4 O9 -","- C26 H17 Co N4 O5 -","- C208 H136 Co8 N32 O40 -","8","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0843","0.0704","","","0.2159","0.2253","","","","","","1.046","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231970","22.672","0.002","14.2171","0.0016","6.8368","0.0006","90","","90","","90","","2203.7","0.4","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Ganesan, Balaji; Senadi, Gopal Chandru; Guo, Bing-Chun; Hung, Min-Yuan; Lin, Wei-Yu","A copper(ii)-catalyzed annulative formylation of o-alkynylanilines with DMF: a single-step strategy for 3-formyl indoles","RSC Advances","2018","8","71","40968","","10.1039/C8RA09214A","","x-ray","0.71073","MoKα","","0.0749","0.0519","","","0.1215","0.1344","","","","","","1.031","","","","has coordinates","212488","2020-10-21","18:00:00",""
"7232028","23.9678","0.0004","11.62457","0.00018","12.7424","0.0002","90","","90","","90","","3550.23","0.1","113.15","","113.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H17 Fe2 O5 P S2 -","- C12 H17 Fe2 O5 P S2 -","- C96 H136 Fe16 O40 P8 S16 -","8","1","","Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao","The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction","RSC Advances","2018","8","74","42262","","10.1039/C8RA08016J","","x-ray","0.71073","MoKα","","0.017","0.0157","","","0.041","0.0415","","","","","","1.034","","","","has coordinates","212672","2020-10-21","18:00:00",""
"7232265","22.1168","0.001","17.9826","0.0008","17.9976","0.001","90","","90","","90","","7158","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H81 O2 P5 Pt3 -","- C86 H81 O2 P5 Pt3 -","- C344 H324 O8 P20 Pt12 -","4","0.5","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0844","0.0441","","","0.0903","0.1045","","","","","","1.006","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7233277","21.8547","0.0008","22.2502","0.0009","20.4982","0.0014","90","","90","","90","","9967.7","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C93 H144 Cl8 O10 -","- C93 H144 Cl8 O10 -","- C372 H576 Cl32 O40 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Synthesis, functionalization, and isolation of planar-chiral pillar[5]arenes with bulky substituents using a chiral derivatization agent","RSC Advances","2019","9","40","23295","","10.1039/C9RA03135A","","","0.71075","MoKα","","0.1201","0.0767","","","0.2172","0.2499","","","","","","1.05","","","","has coordinates,has disorder","217280","2020-10-21","18:00:00",""
"7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233772","33.8575","0.0016","12.0256","0.0006","8.0009","0.0005","90","","90","","90","","3257.6","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H30 O4 -","- C46 H30 O4 -","- C184 H120 O16 -","4","0.5","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.123","0.094","","","0.2263","0.273","","","","","","1.014","","","","has coordinates","218169","2020-10-21","18:00:00",""
"7233859","11.371","0.002","14.464","0.003","13.974","0.003","90","","90","","90","","2298.3","0.8","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C29 H29 N -","- C29 H29 N -","- C116 H116 N4 -","4","0.5","","Ashley A. Buelt; Naresh C. Osti; Yamin Htet; Catherine A. Conrad; Mina F. Shehata; Ruttayapon Potai; Andrew G. Tennyson; Dvora Perahia; Rhett C. Smith","Conjugated polymers with m-pyridine linkages: synthesis, photophysics, solution structure and film morphology","Journal of Materials Chemistry C","2014","2","","8113","8121","10.1039/C4TC00419A","","","0.71073","MoKα","","0.0789","0.0629","","","0.1655","0.1878","","","","","","1.08","","","","has coordinates","218305","2020-10-21","18:00:00",""
"7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7234004","6.0452","0.0005","7.701","0.0007","43.405","0.005","90","","90","","90","","2020.7","0.3","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 S4 -","- C28 H14 S4 -","- C112 H56 S16 -","4","0.5","","Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts","Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties","Journal of Materials Chemistry C","2015","3","","674","685","10.1039/C4TC02158D","","","1.5418","CuKα","","0.0856","0.0762","","","0.2156","0.2296","","","","","","1.105","","","","has coordinates","218587","2020-10-21","18:00:00",""
"7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00",""
"7234294","23.98","0.0007","17.7382","0.0006","8.0277","0.0003","90","","90","","90","","3414.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H28 Cl3 N3 O2 -","- C42 H28 Cl3 N3 O2 -","- C168 H112 Cl12 N12 O8 -","4","0.5","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.1132","0.0678","","","0.1743","0.2073","","","","","","1.034","","","","has coordinates","219011","2020-10-21","18:00:00",""
"7234338","21.5412","0.0009","14.7267","0.0006","17.567","0.0007","90","","90","","90","","5572.8","0.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCS)2]","","","- C52 H72 Fe N18 S2 -","- C52 H72 Fe N18 S2 -","- C208 H288 Fe4 N72 S8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.0534","0.0357","","","0.0785","0.0863","","","","","","1.002","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234339","21.5709","0.0015","14.7251","0.0007","17.349","0.002","90","","90","","90","","5510.6","0.8","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1396","0.07","","","0.1714","0.2254","","","","","","1.058","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234340","21.4283","0.0011","14.7993","0.0007","17.6804","0.0013","90","","90","","90","","5606.9","0.6","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1207","0.0528","","","0.1","0.1311","","","","","","1.027","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234341","21.4596","0.0012","14.8312","0.0007","17.8149","0.0014","90","","90","","90","","5670","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.131","0.0498","","","0.0998","0.1344","","","","","","1.026","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234486","14.7879","0.0006","18.8945","0.0007","23.5291","0.001","90","","90","","90","","6574.3","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cl2 F6 N6 Pt -","- C30 H34 Cl2 F6 N6 Pt -","- C240 H272 Cl16 F48 N48 Pt8 -","8","1","","Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi","Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs","Journal of Materials Chemistry C","2015","3","","10837","10847","10.1039/C5TC02261D","","","0.71073","MoKα","","0.0535","0.037","","","0.081","0.0879","","","","","","1.043","","","","has coordinates,has disorder","219192","2020-10-21","18:00:00",""
"7234600","25.2711","0.001","14.5525","0.0006","16.6199","0.0006","90","","90","","90","","6112.1","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H33 Cu2 N7 O S3 -","- C23 H33 Cu2 N7 O S3 -","- C184 H264 Cu16 N56 O8 S24 -","8","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0776","0.0557","","","0.1503","0.1695","","","","","","1.027","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7235216","19.0174","0.0012","7.6764","0.0005","32.951","0.002","90","","90","","90","","4810.4","0.5","120.5","0.8","120.5","0.8","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H17 Eu N2 O7 -","- C25 H17 Eu N2 O7 -","- C200 H136 Eu8 N16 O56 -","8","1","","Xu, Ping; Yang, Han-Wen; Shi, Jia-Li; Ding, Bo; Zhao, Xiao-Jun; Yang, En-Cui","Efficient detection of a biomarker for infant jaundice by a europium(iii)-organic framework luminescence sensor","RSC Advances","2019","9","64","37584","","10.1039/C9RA08604H","","","1.54184","CuKα","","0.0751","0.0562","","","0.137","0.1504","","","","","","1.007","","","","has coordinates","231074","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235242","26.7527","0.0005","14.212","0.0002","7.2608","0.0002","90","","90","","90","","2760.62","0.1","130.9","0.8","130.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","","theobromine-3,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0594","0.0533","","","0.1441","0.1478","","","","","","1.094","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235250","15.5634","0.0003","12.4382","0.0002","12.8282","0.0003","90","","90","","90","","2483.29","0.09","100","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2E,2'E)-N,N'-(cyclohexane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate","","- C20 H26 F6 N4 O6 S2 -","- C20 H26 F6 N4 O6 S2 -","- C80 H104 F24 N16 O24 S8 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","1.54178","CuKα","","0.0627","0.0524","","","0.1235","0.1299","","","","","","1.066","","","","has coordinates,has disorder","231192","2020-10-21","18:00:00",""
"7235437","15.625","0.004","9.194","0.002","27.403","0.007","90","","90","","90","","3936.6","1.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C168 H168 N24 O24 -","8","1","","Zhong, Keli; Zhou, Xue; Hou, Ruibin; Zhou, Pei; Hou, Shuhua; Bian, Yanjiang; Zhang, Gang; Tang, Lijun; Shang, Xiaohong","A water-soluble highly sensitive and selective fluorescent sensor for Hg2+ based on 2-(2-(8-hydroxyquinolin)-yl)benzimidazole via ligand-to-metal charge transfer (LMCT)","RSC Advances","2014","4","32","16612","","10.1039/c4ra00060a","","","0.71073","MoKα","","0.1095","0.089","","","0.2647","0.2867","","","","","","1.049","","","","has coordinates","233031","2020-10-21","18:00:00",""
"7235489","15.095","0.003","5.7769","0.001","31.466","0.005","90","","90","","90","","2743.9","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Br N S2 -","- C14 H10 Br N S2 -","- C112 H80 Br8 N8 S16 -","8","1","","Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping","Efficient construction of C‒S and C‒N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol","RSC Adv.","2014","4","32","16855","","10.1039/C4RA00590B","","","0.71073","MoKα","","0.0978","0.0894","","","0.1886","0.1916","","","","","","1.059","","","","has coordinates","233073","2020-10-21","18:00:00",""
"7235617","18.839","0.0008","13.5066","0.0006","9.0088","0.0003","90","","90","","90","","2292.3","0.16","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.085","0.0567","","","0.1564","0.177","","","","","","1.065","","","","has coordinates,has disorder","296814","2024-12-10","08:46:17",""
"7235648","11.1278","0.0003","12.2969","0.0004","18.309","0.0006","90","","90","","90","","2505.36","0.13","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C15 H10 I N -","- C15 H10 I N -","- C120 H80 I8 N8 -","8","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.042","0.0295","","","0.0607","0.0656","","","","","","1.031","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235893","10.772","0.0006","12.0538","0.0007","18.4416","0.001","90","","90","","90","","2394.5","0.2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C128 H80 O32 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0595","0.0446","","","0.1033","0.1107","","","","","","1.032","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7236502","19.52","0.004","13.946","0.003","13.312","0.003","90","","90","","90","","3623.9","1.4","153","2","153.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 F3 N3 O3 -","- C20 H16 F3 N3 O3 -","- C160 H128 F24 N24 O24 -","8","1","","Zhu, Xin; He, Zhi; Li, Qiu-Yan; Wang, Xiao-Jun","Direct C(sp2)‒H amination of aryl aldehyde-derived hydrazones via visible light promoted photoredox catalysis","RSC Advances","2017","7","40","25171","","10.1039/C7RA01229B","","","0.71073","MoKα","","0.0719","0.0669","","","0.1318","0.1341","","","","","","1.251","","","","has coordinates","236233","2020-10-21","18:00:00",""
"7236584","12.678","0.005","14.408","0.005","20.225","0.007","90","","90","","90","","3694","2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C96 H64 Cu8 N16 O32 -","8","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1681","0.1032","","","0.2291","0.2639","","","","","","1.002","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236766","10.9395","0.0014","8.3215","0.0011","17.16","0.002","90","","90","","90","","1562.1","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","0.5","","Wang, Jiaxing; Gao, Ya; Zhang, Junji; Tian, He","Invisible photochromism and optical anti-counterfeiting based on D‒A type inverse diarylethene","Journal of Materials Chemistry C","2017","5","18","4571","","10.1039/C7TC00962C","","","0.71073","MoKα","","0.0493","0.04","","","0.1104","0.1185","","","","","","1.072","","","","has coordinates","236493","2020-10-21","18:00:00",""
"7236810","13.862","0.003","7.756","0.0016","27.693","0.006","90","","90","","90","","2977.4","1.1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H14 F10 S2 -","- C38 H14 F10 S2 -","- C152 H56 F40 S8 -","4","0.5","","Li, Jinfeng; Ni, Zhenjie; Zhang, Xiaotao; Li, Rongjin; Dong, Huanli; Hu, Wenping","Enhanced stability of a rubrene analogue with a brickwork packing motif","Journal of Materials Chemistry C","2017","5","33","8376","","10.1039/C7TC01790A","","","0.71073","MoKα","","0.1336","0.1122","","","0.1644","0.1717","","","","","","1.378","","","","has coordinates,has disorder","236529","2020-10-21","18:00:00",""
"7236832","17.353","0.002","13.8521","0.0017","25.76","0.003","90","","90","","90","","6192.1","1.3","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H26 Cl2 N6 O Pt2 -","- C35 H26 Cl2 N6 O Pt2 -","- C280 H208 Cl16 N48 O8 Pt16 -","8","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0839","0.0729","","","0.1666","0.1729","","","","","","1.216","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236840","19.3848","0.0005","18.64","0.0005","16.7392","0.0004","90","","90","","90","","6048.4","0.3","133.84","0.1","133.84","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TPMP PF6","","- C33 H40 F6 P2 -","- C33 H40 F6 P2 -","- C264 H320 F48 P16 -","8","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","1.54184","CuKα","","0.1621","0.1403","","","0.4052","0.4326","","","","","","1.759","","","","has coordinates","236563","2020-10-21","18:00:00",""
"7236924","13.6826","0.0004","22.593","0.0007","9.0276","0.0003","90","","90","","90","","2790.71","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C48 H112 I24 N8 Pb8 -","8","1","","Wu, Zhenyue; Ji, Chengmin; Wang, Sasa; Zhang, Weichuan; Wang, Yuyin; Li, Lina; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","(2-Methylpiperidine)PbI3: an ABX3-type organic‒inorganic hybrid chain compound and its semiconducting nanowires with photoconductive properties","Journal of Materials Chemistry C","2017","5","44","11466","","10.1039/C7TC03844E","","","0.71073","MoKα","","0.0343","0.0255","","","0.0437","0.0466","","","","","","1.051","","","","has coordinates","236639","2020-10-21","18:00:00",""
"7237612","20.775","0.003","22.658","0.004","10.1503","0.0016","90","","90","","90","","4777.9","1.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H36 F6 Ir N5 P2 S2 -","- C54 H36 F6 Ir N5 P2 S2 -","- C216 H144 F24 Ir4 N20 P8 S8 -","4","0.5","","Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei","Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand","Journal of Materials Chemistry C","2019","7","9","2570","","10.1039/C8TC06346J","","","0.71073","MoKα","","0.0495","0.0461","","","0.1035","0.1051","","","","","","1.162","","","","has coordinates,has disorder","237803","2020-10-21","18:00:00",""
"7237619","9.973","0.004","8.757","0.004","15.809","0.006","90","","90","","90","","1380.7","1","173","2","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 N2 Nd O8 -","- C14 H7 N2 Nd O8 -","- C56 H28 N8 Nd4 O32 -","4","0.5","","Zeng, Min; Zhan, Chuanlang; Yao, Jiannian","Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions","Journal of Materials Chemistry C","2019","7","9","2751","","10.1039/C8TC06445H","","","0.71073","MoKα","","0.0321","0.0314","","","0.0916","0.0925","","","","","","1.156","","","","has coordinates","237809","2020-10-21","18:00:00",""
"7237665","4.1673","0.0002","25.707","0.002","18.2223","0.0009","90","","90","","90","","1952.1","0.2","106.6","0.2","106.6","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H4 N O6 Pb -","- C9 H4 N O6 Pb -","- C72 H32 N8 O48 Pb8 -","8","1","","Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.","A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media","Journal of Materials Chemistry A","2019","7","25","15432","","10.1039/C9TA03337H","","","1.54184","CuKα","","0.1134","0.087","","","0.2808","0.3049","","","","","","1.142","","","","has coordinates,has disorder","238487","2020-10-21","18:00:00",""
"7237812","15.709","0.0007","19.7575","0.0009","21.8169","0.0009","90","","90","","90","","6771.3","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H28 F6 Ir N3 S2 -","- C31 H28 F6 Ir N3 S2 -","- C248 H224 F48 Ir8 N24 S16 -","8","1","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.0287","0.0212","","","0.0506","0.0547","","","","","","1.075","","","","has coordinates","238626","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238315","16.406","0.003","20.617","0.004","8.9854","0.0018","90","","90","","90","","3039.2","1","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H23 Cu F12 N5 P2 -","- C29 H23 Cu F12 N5 P2 -","- C116 H92 Cu4 F48 N20 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0474","0.0466","","","0.1109","0.1115","","","","","","1.214","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238344","15.9192","0.0006","5.9225","0.0003","18.5992","0.0008","90","","90","","90","","1753.56","0.13","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co3 N2 O14 -","- C16 H8 Co3 N2 O14 -","- C64 H32 Co12 N8 O56 -","4","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0396","0.0259","","","0.0573","0.0589","","","","","","0.886","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238528","14.9164","0.001","12.3456","0.0008","19.9754","0.0013","90","","90","","90","","3678.5","0.4","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cytosinium 4-hydroxyphenylacetate cytosine monohydrate","","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C128 H160 N48 O48 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0395","0.0356","","","0.0934","0.0965","","","","","","1.041","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238593","27.556","0.003","16.8879","0.0016","17.3304","0.0019","90","","90","","90","","8064.9","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C73 H93 N11 Ni6 O17 -","- C73 H93 N11 Ni6 O17 -","- C292 H372 N44 Ni24 O68 -","4","0.5","","Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin","Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties","RSC Adv.","2012","2","4","1310","","10.1039/C2RA01219G","","","0.71073","MoKα","","0.1612","0.0829","","","0.2091","0.2639","","","","","","1","","","","has coordinates","244247","2020-10-21","18:00:00",""
"7238666","5.9957","0.0011","23.128","0.004","16.303","0.003","90","","90","","90","","2260.7","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H18 Ag F3 N2 O8 S -","- C21 H18 Ag F3 N2 O8 S -","- C84 H72 Ag4 F12 N8 O32 S4 -","4","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.0516","0.0433","","","0.1057","0.1106","","","","","","1.093","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7238724","18.36","0.003","10.7617","0.0018","15.277","0.003","90","","90","","90","","3018.5","0.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Reddy, B. V. Subba; Reddy, Y. Vikram; Lakshumma, P. Subba; Narasimhulu, G.; Yadav, J. S.; Sridhar, B.; Reddy, P. Purushotham; Kunwar, A. C.","In(OTf)3-catalyzed tandem aza-Piancatelli rearrangement/Michael reaction for the synthesis of 3,4-dihydro-2H-benzo[b][1,4]thiazine and oxazine derivatives","RSC Advances","2012","2","28","10661","","10.1039/c2ra21591h","","","0.71073","MoKα","","0.042","0.0341","","","0.0898","0.0972","","","","","","1.053","","","","has coordinates","244317","2020-10-21","18:00:00",""
"7238830","13.5733","0.0005","15.9205","0.0007","20.8014","0.0009","90","","90","","90","","4495.1","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cd2 N8 O12 -","- C45 H44 Cd2 N8 O12 -","- C180 H176 Cd8 N32 O48 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1024","0.0814","","","0.169","0.1761","","","","","","1.401","","","","has coordinates","244397","2020-10-21","18:00:00",""
"7238928","16.8215","0.0008","24.9185","0.0014","7.4008","0.0004","90","","90","","90","","3102.2","0.3","296","","296","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C36 H34 O4 -","- C36 H34 O4 -","- C144 H136 O16 -","4","0.5","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1726","0.084","","","0.2172","0.2771","","","","","","0.936","","","","has coordinates","244467","2020-10-21","18:00:00",""
"7238951","16.4455","0.0008","7.7792","0.0003","18.8199","0.0009","90","","90","","90","","2407.68","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.117","0.0587","","","0.106","0.1285","","","","","","1.002","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7239024","10.949","0.002","17.19","0.003","12.099","0.002","90","","90","","90","","2277.2","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H17 Cl4 Fe O -","- C23 H17 Cl4 Fe O -","- C92 H68 Cl16 Fe4 O4 -","4","0.5","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.1538","0.0765","","","0.1697","0.2092","","","","","","1","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239115","31.2908","0.0012","9.2585","0.0003","12.661","0.0005","90","","90","","90","","3668","0.2","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","0.71073","MoKα","","0.073","0.0434","","","0.087","0.096","","","","","","1.015","","","","has coordinates","244553","2020-10-21","18:00:00",""
"7239549","15.0473","0.0008","18.1959","0.001","10.7775","0.0006","90","","90","","90","","2950.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C128 H176 N8 O24 -","4","0.5","","Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio","Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques","Journal of Materials Chemistry A","2014","2","10","3536","","10.1039/c3ta13116e","","","0.71073","MoKα","","0.0569","0.0417","","","0.1125","0.1228","","","","","","1.066","","","","has coordinates,has disorder","244764","2020-10-21","18:00:00",""
"7239579","9.1313","0.0018","8.1896","0.0016","24.073","0.005","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N8 O6 Zn -","- C14 H18 N8 O6 Zn -","- C56 H72 N32 O24 Zn4 -","4","0.5","","Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He","In vitro controlled release of theophylline from metal‒drug complexes","Journal of Materials Chemistry B","2013","1","32","3879","","10.1039/c3tb20633e","","","0.71073","MoKα","","0.0873","0.0664","","","0.1227","0.1326","","","","","","1.009","","","","has coordinates","244776","2020-10-21","18:00:00",""
"7239731","8.8182","0.0005","10.111","0.0004","21.493","0.0009","90","","90","","90","","1916.33","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 P Zn -","- C7 H8 N2 O3 P Zn -","- C56 H64 N16 O24 P8 Zn8 -","8","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.0442","0.0317","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates,has disorder","258048","2020-10-21","18:00:00",""
"7239746","18.3966","0.0019","11.3788","0.0012","7.4311","0.0008","90","","90","","90","","1555.6","0.3","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0644","0.0449","","","0.1228","0.1433","","","","","","0.942","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239930","10.5993","0.0003","11.9893","0.0004","28.8362","0.0008","90","","90","","90","","3664.45","0.19","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H16 N4 S3 -","- C19 H16 N4 S3 -","- C152 H128 N32 S24 -","8","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.041","0.0349","","","0.0879","0.0911","","","","","","1.058","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7240165","10.4559","0.0001","9.2217","0.0001","14.0803","0.0002","90","","90","","90","","1357.64","0.03","400","","400","","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","0.5","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.078","3.999","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240593","18.8002","0.0002","9.6241","0.0001","14.373","0.0002","90","","90","","90","","2600.58","0.05","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C112 H144 N32 O8 -","8","1","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","0.71073","MoKα","","0.044","0.0355","","","0.0871","0.0938","","","","","","1.043","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240758","27.308","0.006","19.968","0.005","16.327","0.003","90","","90","","90","","8903","3","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","beautiful hen","","- C66 H69 Eu2 N18 O30 S6 -","- C66 H69 Eu2 N18 O30 S6 -","- C264 H276 Eu8 N72 O120 S24 -","4","0.5","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.1437","0.0728","","","0.1676","0.2027","","","","","","1.031","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240913","14.2615","0.0006","8.9996","0.0003","29.6078","0.0013","90","","90","","90","","3800.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H28 I2 N4 O6 Zn -","- C38 H28 I2 N4 O6 Zn -","- C152 H112 I8 N16 O24 Zn4 -","4","0.5","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.71073","MoKα","","0.0382","0.0315","","","0.0726","0.0764","","","","","","1.024","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7241050","13.338","0.003","23.519","0.005","19.056","0.004","90","","90","","90","","5978","2","113.15","","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H6 N3 O5 Zn -","- C12 H6 N3 O5 Zn -","- C96 H48 N24 O40 Zn8 -","8","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","0.71073","MoKα","","0.0831","0.0724","","","0.2159","0.229","","","","","","1.1","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241300","29.7592","0.0003","26.2631","0.0003","20.0331","0.0002","90","","90","","90","","15657.2","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C65 H71 Ag Cl9 F3 O15 S9 -","- C65 H69 Ag Cl9 F3 O15 S9 -","- C520 H552 Ag8 Cl72 F24 O120 S72 -","8","1","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0911","0.0678","","","0.1878","0.2117","","","","","","1.05","","","","has coordinates,has disorder","256752","2020-10-21","18:00:00",""
"7241311","20.7375","0.0011","13.4812","0.0007","25.4131","0.0013","90","","90","","90","","7104.6","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H29 N4 O7 Re2 -","- C37 H22 N4 O7 Re2 -","- C296 H176 N32 O56 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","0.71073","MoKα","","0.0308","0.021","","","0.0439","0.0472","","","","","","1.033","","","","has coordinates,has disorder","256784","2020-10-21","18:00:00",""
"7241671","16.876","0.0003","8.689","0.0001","19.621","0.0004","90","","90","","90","","2877.14","0.08","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 N5 -","- C16 H16 N5 -","- C128 H128 N40 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.089","0.0578","","0.1778","0.1471","","","","1.112","1.129","1.129","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241894","10.9462","0.0009","13.6297","0.0011","19.4386","0.0016","90","","90","","90","","2900.1","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,5-pentanediamine-Isophthalate","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C104 H176 N16 O40 -","8","1","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.0708","0.0397","","","0.0944","0.1104","","","","","","1.025","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241927","12.4189","0.0004","20.0829","0.0006","28.0298","0.0008","90","","90","","90","","6990.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H48 Cu N4 O11 S2 -","- C248 H192 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.103","0.0621","","","0.1721","0.1943","","","","","","1.033","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7242117","15.3304","0.0016","17.4349","0.0018","15.9678","0.0018","90","","90","","90","","4267.9","0.8","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C176 H160 N32 Ni8 O40 -","8","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0837","0.0466","","","0.1066","0.1256","","","","","","1.06","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242137","13.067","0.003","14.398","0.003","6.5342","0.0013","90","","90","","90","","1229.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,6-diamino-3-hydroxy-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide hemihydrate","","- C6 H12 N10 O7 -","- C6 H12 N10 O7 -","- C24 H48 N40 O28 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1057","0.052","","","0.0962","0.1123","","","","","","0.881","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242199","35.3301","0.0011","10.8822","0.0003","7.5873","0.0002","90","","90","","90","","2917.08","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C112 H128 N48 O32 -","8","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.0743","0.0467","","","0.0941","0.1078","","","","","","1.077","","","","has coordinates","263734","2021-04-05","14:36:29",""
"7242826","19.3983","0.0008","23.5501","0.0012","18.7638","0.0007","90","","90","","90","","8571.9","0.6","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H114 Cl7 Cr2 Dy5 O90 -","- C22 H42 Cl2 Cr2 Dy5 O49 -","- C88 H168 Cl8 Cr8 Dy20 O196 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1084","0.0673","","","0.1663","0.1891","","","","","","1.002","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242827","19.483","0","23.488","0","18.895","0","90","","90","","90","","8646.67","","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H138 Cl7 Cr2 Gd5 O102 -","- C22 H44.2 Cl2 Cr2 Gd5 O48.74 -","- C88 H176.8 Cl8 Cr8 Gd20 O194.96 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1088","0.0709","","","0.1754","0.1984","","","","","","1.04","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242832","5.511","0.0003","18.5899","0.0011","23.7423","0.0013","90","","90","","90","","2432.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C96 H64 F12 I12 N8 -","4","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0485","0.0317","","","0.0626","0.0706","","","","","","1.01","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242898","14.6312","0.0007","12.0469","0.0006","18.6651","0.001","90","","90","","90","","3289.9","0.3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C160 H128 O48 -","8","1","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0535","0.0511","","","0.1336","0.1368","","","","","","1.305","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242954","21.1712","0.0015","15.3453","0.0008","11.4218","0.0008","90","","90","","90","","3710.7","0.4","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dimethyl-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate 1,4-xylene","","- C22.67 H21.33 O4 -","- C22.6664 H21.333 O4 -","- C181.331 H170.664 O32 -","8","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0714","0.053","","","0.1441","0.1601","","","","","","1.022","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7243031","3.8383","0.0002","22.1816","0.0009","14.0252","0.0006","90","","90","","90","","1194.1","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0286","0.0236","","","0.0511","0.0528","","","","","","1.106","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243035","11.1052","0.001","16.1802","0.0015","9.2208","0.0009","90","","90","","90","","1656.8","0.3","223","2","223","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,6,7,9,10,11-Hexahydrobenzo[6,7]cyclohepta[1,2-b]benzo[6,7]cyclohepta[2,1-e]pyridine","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","0.5","","Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok","Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors","Green Chemistry","2021","23","14","5113","5119","10.1039/D1GC01332G","","","0.71073","MoKα","","0.0577","0.0412","","","0.1","0.1118","","","","","","1.061","","","","has coordinates","268823","2021-09-06","11:47:40",""
"7243161","17.283","0.008","7.552","0.002","13.411","0.006","90","","90","","90","","1750.4","1.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H2 N18 O8 -","- C8 H2 N18 O8 -","- C32 H8 N72 O32 -","4","0.5","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0636","0.0393","","","0.0835","0.0942","","","","","","1.022","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243480","22.4598","0.0005","12.1864","0.0002","14.4057","0.0003","90","","90","","90","","3942.9","0.14","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C120 H88 I24 N24 Pb12 -","4","0.5","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.0452","0.0273","","","0.0445","0.0489","","","","","","1.085","","","","has coordinates","268488","2021-09-06","05:33:50",""
"7243619","11.0913","0.0014","16.1163","0.0018","9.1839","0.0009","90","","90","","90","","1641.6","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","0.5","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.067","0.0498","","","0.1344","0.1468","","","","","","1.091","","","","has coordinates","270461","2021-11-06","20:14:17",""
"7243652","4.57964","0.00007","5.58662","0.00008","4.9692","0.00007","90","","90","","90","","127.136","0.003","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe2.667 O8 W1.333 -","- Fe2.6668 O8 W1.3332 -","- Fe2.6668 O8 W1.3332 -","1","0.125","","Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry","Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations","CrystEngComm","2021","23","41","7298","7304","10.1039/D1CE00916H","powder diffraction","x-ray","1.54186","","","0.0417","0.0381","","0.0449","0.0442","","","","1.33","","","","","","","has coordinates","270416","2021-11-06","19:48:23",""
"7243744","11.3484","0.0002","7.4781","0.0001","36.737","0.0006","90","","90","","90","","3117.67","0.09","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H14 Fe O7 -","- C15 H14 Fe O7 -","- C120 H112 Fe8 O56 -","8","1","","Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther","ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00163A","","","1.54178","CuKα","","0.0381","0.036","","","0.0935","0.0945","","","","","","1.093","","","","has coordinates","269974","2021-10-15","23:57:38",""
"7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244376","14.0945","0.0002","12.8981","0.0002","20.6753","0.0003","90","","90","","90","","3758.61","0.1","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TMTTF-([4]heliceneCOO)2","","- C48 H34 O4 S4 -","- C48 H34 O4 S4 -","- C192 H136 O16 S16 -","4","0.5","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0452","0.0424","","","0.1186","0.1217","","","","","","1.056","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244771","16.3215","0.0014","17.453","0.0015","18.0785","0.0015","90","","90","","90","","5149.8","0.8","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 Cd N6 O18 S2 U2 -","- C50 H28 Cd N6 O18 S2 U2 -","- C200 H112 Cd4 N24 O72 S8 U8 -","4","0.5","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0499","0.0311","","","0.0657","0.0717","","","","","","1.024","","","","has coordinates","274500","2022-04-12","22:40:54",""
"7244774","13.4405","0.0003","16.5001","0.0004","14.9111","0.0003","90","","90","","90","","3306.83","0.13","130","","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H12 Cd N6 O7.5 -","- C12.5 H12 Cd N6 O7.5 -","- C100 H96 Cd8 N48 O60 -","8","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","1.5418","CuKα","","0.0547","0.0411","","","0.1059","0.1182","","","","","","1.028","","","","has coordinates,has disorder","274514","2022-04-13","22:39:56",""
"7244792","18.7366","0.0002","9.0758","0.0001","21.2147","0.0002","90","","90","","90","","3607.55","0.06","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0379","0.0361","","","0.0995","0.1016","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244794","18.9657","0.0005","9.2178","0.0002","21.3293","0.0004","90","","90","","90","","3728.83","0.15","345","2","345","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.059","0.0508","","","0.1607","0.1707","","","","","","1.088","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244795","18.9092","0.0001","9.1761","0.0001","21.2981","0.0002","90","","90","","90","","3695.49","0.06","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0391","0.0368","","","0.1089","0.1113","","","","","","1.08","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7245142","21.4967","0.0003","17.7167","0.0003","27.0552","0.0004","90","","90","","90","","10304","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C80 H78 Mo12 N4 Nd O47 P5 -","- C80 H78 Mo12 N4 Nd O47 P5 -","- C320 H312 Mo48 N16 Nd4 O188 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","1.54184","CuKα","","0.0928","0.0894","","","0.2392","0.2428","","","","","","1.09","","","","has coordinates","276711","2022-07-06","22:40:43",""
"7245143","21.507","0.002","17.6612","0.0018","27.356","0.003","90","","90","","90","","10390.9","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Dy Mo12 O51 P5 -","- C80 H90 Dy Mo12 O51 P5 -","- C320 H360 Dy4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1119","0.0555","","","0.1118","0.1348","","","","","","1.008","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245144","21.49","0.003","17.646","0.003","27.381","0.004","90","","90","","90","","10383","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8.89 H9.89 Er0.11 Mo1.33 O5.67 P0.56 -","- C8.88889 H9.88889 Er0.111111 Mo1.33333 O5.66667 P0.555556 -","- C320 H356 Er4 Mo48 O204 P20 -","36","4.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.0847","0.0463","","","0.0948","0.1095","","","","","","1.031","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245145","21.5225","0.0019","17.6625","0.0017","27.352","0.003","90","","90","","90","","10397.6","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Ho Mo12 O51 P5 -","- C80 H90 Ho Mo12 O51 P5 -","- C320 H360 Ho4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.092","0.05","","","0.0977","0.1153","","","","","","1.04","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245168","10.7772","0.0015","13.5103","0.0019","15.027","0.002","90","","90","","90","","2188","0.5","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H16 B F2 I3 N2 -","- C19 H16 B F2 I3 N2 -","- C76 H64 B4 F8 I12 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0698","","","","","","1.034","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245534","15.6729","0.0002","20.0722","0.0004","32.1725","0.0003","90","","90","","90","","10121.1","0.3","170","2","170","0.14","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C360 H144 Cl8 F192 I32 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0612","0.0469","","","0.1064","0.1189","","","","","","1.175","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245536","20.5688","0.0018","7.552","0.0004","65.85","0.011","90","","90","","90","","10229","2","170","2","170","0.14","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C360 H144 F192 I40 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0631","0.0541","","","0.1011","0.1046","","","","","","1.207","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7246007","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H42 Cd4 N6 O12 S2 -","- C42 H42 Cd4 N6 O12 S2 -","- C168 H168 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0891","0.068","","","0.1402","0.1518","","","","","","1.196","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246008","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H46 Cd4 N6 O12 S2 -","- C44 H46 Cd4 N6 O12 S2 -","- C176 H184 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0881","0.0672","","","0.1368","0.1482","","","","","","1.177","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246763","14.1256","0.0005","23.1528","0.0007","28.0634","0.0007","90","","90","","90","","9178.1","0.5","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70 H110 Co2 Mn4 N4 O22 -","- C70 H110 Co2 Mn4 N4 O22 -","- C280 H440 Co8 Mn16 N16 O88 -","4","0.5","","Yang, ZhiWei; Du, LongChao","Novel Mn4-Co2 nanocluster@photosensitizers/SalenCo(iii) catalyze the copolymerization of carbon dioxide and propylene oxide","RSC Advances","2023","13","20","13930","13939","10.1039/D3RA01742G","","x-ray","1.54186","CuKα","","0.0841","0.0599","","","0.1449","0.1618","","","","","","1.044","","","","has coordinates,has disorder","283671","2023-05-11","01:03:15",""
"7246968","13.2549","0.0006","14.9295","0.0008","16.5899","0.0008","90","","90","","90","","3283","0.3","150","2","150","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C11 H17 B F4 Mo O2 S2 -","- C11 H17 B F4 Mo O2 S2 -","- C88 H136 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0508","0.0458","","","0.1052","0.1085","","","","","","1.08","","","","has coordinates,has disorder","284738","2023-07-01","01:08:10",""
"7246972","20.4942","0.0007","12.2026","0.0004","15.1267","0.0004","90","","90","","90","","3782.9","0.2","120","2","120","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C18 H19 B F4 O2 S W -","- C18 H19 B F4 O2 S W -","- C144 H152 B8 F32 O16 S8 W8 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0227","0.0218","","","0.0515","0.052","","","","","","1.09","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7247100","23.24","0.004","13.0799","0.0009","13.2996","0.0013","90","","90","","90","","4042.8","0.8","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N O5 S -","- C14 H11 N O5 S -","- C112 H88 N8 O40 S8 -","8","1","","Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.","Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00044C","","x-ray","1.54184","CuKα","","0.1561","0.1158","","","0.3094","0.3585","","","","","","1.046","","","","has coordinates","285343","2023-07-26","00:01:27",""
"7247440","16.5928","0.0005","7.2752","0.0002","39.3538","0.0012","90","","90","","90","","4750.6","0.2","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H25 Fe N O2 -","- C33 H25 Fe N O2 -","- C264 H200 Fe8 N8 O16 -","8","1","","Angela, Varghese Maria; Harshini, Deivendran; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai. S. P.; Nagarajan, Samuthira","Efficient ternary WORM memory devices from quinoline-based D–A systems by varying the redox behavior of ferrocene","RSC Advances","2023","13","41","28416","28425","10.1039/D3RA05685F","","","0.71073","MoKα","","0.0516","0.0458","","","0.11","0.1143","","","","","","1.066","","","","has coordinates","286551","2023-09-27","01:21:07",""
"7247483","12.8143","0.0007","17.6436","0.001","14.6798","0.0009","90","","90","","90","","3319","0.3","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H42 Cl Co N10 O8 -","- C26 H42 Cl Co N10 O8 -","- C104 H168 Cl4 Co4 N40 O32 -","4","0.5","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0752","0.0716","","","0.2265","0.2322","","","","","","1.048","","","","has coordinates,has disorder","286862","2023-10-10","01:24:09",""
"7247529","13.8459","0.0001","10.3707","0.0001","26.6399","0.0003","90","","90","","90","","3825.27","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H20 O6 S -","- C20 H20 O6 S -","- C160 H160 O48 S8 -","8","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.1069","0.1114","","","","","","1.073","","","","has coordinates","288819","2024-01-06","08:23:34",""
"7248760","22.17","0.0004","7.54141","0.00012","34.4865","0.0004","90","","90","","90","","5765.9","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H25 Cl F2 N6 O4 -","- C28 H25 Cl F2 N6 O4 -","- C224 H200 Cl8 F16 N48 O32 -","8","1","","Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies","RSC Advances","2024","14","24","17051","17070","10.1039/D4RA01332H","","","1.54184","CuKα","","0.065","0.0539","","","0.1532","0.1619","","","","","","1.063","","","","has coordinates","292127","2024-05-31","01:19:32",""
"7249005","13.1765","0.0004","10.5309","0.0004","14.9341","0.0004","90","","90","","90","","2072.26","0.12","99.97","0.1","99.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H5 Cl3 Hg N4 -","- C6 H5 Cl3 Hg N4 -","- C48 H40 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0595","0.0562","","","0.1512","0.1546","","","","","","1.09","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249024","17.9765","0.0013","12.865","0.0013","13.6805","0.001","90","","90","","90","","3163.9","0.5","295","","295","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C112 H48 F32 I16 N16 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1022","0.0657","","","0.1622","0.204","","","","","","1.074","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249121","30.4034","0.0019","19.7177","0.0013","39.988","0.003","90","","90","","90","","23972","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C110 H84 N18 O26 Zn4 -","- C110 H84 N18 O26 Zn4 -","- C880 H672 N144 O208 Zn32 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","0.71073","MoKα","","0.1983","0.1615","","","0.4143","0.4361","","","","","","1.05","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249273","22.162","0.003","7.1809","0.001","10.8505","0.0015","90","","90","","90","","1726.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 S -","- C7 H8 N2 O3 S -","- C56 H64 N16 O24 S8 -","8","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0833","0.0867","","","","","","1.064","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249294","17.2168","0.0004","13.7528","0.0003","31.2747","0.0008","90","","90","","90","","7405.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H24 N5 Nd O7 -","- C32 H24 N5 Nd O7 -","- C256 H192 N40 Nd8 O56 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0732","0.0538","","","0.1359","0.152","","","","","","1.038","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249295","16.9927","0.0002","13.7367","0.0002","31.1677","0.0004","90","","90","","90","","7275.28","0.17","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H14 Gd N4 O6 -","- C28 H14 Gd N4 O6 -","- C224 H112 Gd8 N32 O48 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0614","0.0448","","","0.1143","0.1226","","","","","","1.034","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249535","12.7149","0.0008","11.1762","0.0008","10.8144","0.0009","90","","90","","90","","1536.77","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H4 Cs N5 -","- C5 H4 Cs N5 -","- C40 H32 Cs8 N40 -","8","1","","Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine","Crystal structures of potassium and cesium salts of adenine: the role of alkali cations.","CrystEngComm","2024","","","","","10.1039/D4CE00892H","","x-ray","0.71073","MoKα","","0.0625","0.0551","","","0.1358","0.1415","","","","","","1.113","","","","has coordinates","295762","2024-11-04","23:27:38",""
"7249694","32.4449","0.0014","8.4715","0.0003","17.0615","0.0007","90","","90","","90","","4689.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C232 H184 N8 O24 S8 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles","Green Chemistry","2024","","","","","10.1039/D4GC05876C","","","0.71073","MoKα","","0.0551","0.0425","","","0.118","0.1296","","","","","","1.039","","","","has coordinates","296868","2024-12-14","00:35:56",""
"7700107","15.6154","0.0013","17.1417","0.0015","14.9699","0.0008","90","","90","","90","","4007.1","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H28 Mn N10 -","- C17.9999 H27.9998 Mn N10 -","- C143.999 H223.998 Mn8 N80 -","8","1","","Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci","Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9072","9078","10.1039/c9dt01648a","","","0.41112","synchrotron","","0.0944","0.0629","","","0.1709","0.201","","","","","","1.042","","","","has coordinates,has disorder","224206","2020-10-21","18:00:00",""
"7700178","17.629","0.004","18.438","0.004","15.309","0.003","90","","90","","90","","4976.1","1.8","200","","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H28 F6 N6 P2 Ru -","- C21 H28 F6 N6 P2 Ru -","- C168 H224 F48 N48 P16 Ru8 -","8","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0338","0.0302","","","0.0802","0.0821","","","","","","1.031","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700300","26.9355","0.0009","13.2083","0.0005","18.8465","0.0006","90","","90","","90","","6705.1","0.4","294","","294","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C51 H22 Ag2 Au4 B2 Cl8 F20 N8 O -","- C51 H22 Ag2 Au4 B2 Cl8 F20 N8 O -","- C204 H88 Ag8 Au16 B8 Cl32 F80 N32 O4 -","4","0.5","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","x-ray","0.71073","MoKα","","0.1129","0.052","","","0.1011","0.1289","","","","","","1.01","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7701105","7.9951","0.0013","14.758","0.002","21.725","0.004","90","","90","","90","","2563.4","0.7","100","2","100.1","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H14 Cl N3 O -","- C12.5 H14 Cl N3 O -","- C100 H112 Cl8 N24 O8 -","8","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0884","0.0663","","","0.1396","0.1469","","","","","","1.197","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701361","12.1141","0.0004","8.9251","0.0003","8.7389","0.0003","90","","90","","90","","944.85","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Li Mo O6 P -","- Li Mo O6 P -","- Li8 Mo8 O48 P8 -","8","1","","Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng","Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6","Dalton Transactions","2019","","","","","10.1039/C9DT03451J","","","0.71073","MoKα","","0.0163","0.0153","","","0.0345","0.0348","","","","","","1.11","","","","has coordinates","219315","2020-10-21","18:00:00",""
"7701494","21.2507","0.0017","19.9219","0.0014","14.9429","0.001","90","","90","","90","","6326.1","0.8","300.01","0.1","300.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H60 Br18 In4 N6 -","- C24 H60 Br18 In4 N6 -","- C96 H240 Br72 In16 N24 -","4","0.5","","Xin, Wen-Bo; Xu, Guan-Cheng; Li, Min","Synthesis and Characterization of a New Organic-inorganic Hybrid Ferroelectric: (C4H10N)6[InBr6][InBr4]3•H2O","Dalton Transactions","2019","","","","","10.1039/C9DT03970H","","x-ray","1.54184","CuKα","","0.1441","0.0873","","","0.238","0.2835","","","","","","0.997","","","","has coordinates","223278","2020-10-21","18:00:00",""
"7701770","18.7762","0.0006","15.5899","0.0005","17.68","0.0006","90","","90","","90","","5175.3","0.3","295.16","0.1","295.16","","","","","","","","","7","P b c n","-P 2n 2ab","60","","di Ni POCOP iPr CB","","- C38 H72 B10 Ni2 O4 P4 S2 -","- C38 H72 B10 Ni2 O4 P4 S2 -","- C152 H288 B40 Ni8 O16 P16 S8 -","4","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","","0.71073","MoKα","","0.077","0.0529","","","0.1179","0.1318","","","","","","1.133","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7701848","43.067","0.008","9.3233","0.0018","15.204","0.003","90","","90","","90","","6105","2","100","2","100","2","","","101.3","","","","","6","P b c n","-P 2n 2ab","60","","cis-bis(N,N-diethyl-N?-1-naphthoylthioureato-S,O)palladium(II)","","- C32 H34 N4 O2 Pd S2 -","- C32 H34 N4 O2 Pd S2 -","- C256 H272 N32 O16 Pd8 S16 -","8","1","","Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.","Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.","Dalton Transactions","2019","","","","","10.1039/C9DT03672E","","x-ray","0.71073","MoKα","","0.0798","0.049","","","0.095","0.1044","","","","","","1.04","","","","has coordinates","225381","2020-10-21","18:00:00",""
"7701971","9.4211","0.0005","14.8334","0.0005","21.6671","0.001","90","","90","","90","","3027.9","0.2","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H25 Cl Cu2 N12 O4 -","- C22 H25 Cl Cu2 N12 O4 -","- C88 H100 Cl4 Cu8 N48 O16 -","4","0.5","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0787","0.066","","","0.1807","0.1918","","","","","","1.138","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7702024","17.75","0.005","16.032","0.004","20.783","0.006","90","","90","","90","","5914","3","150","","149.7","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28.5 H21 B Cl F15 N O -","- C28.5 H21 B Cl F15 N O -","- C228 H168 B8 Cl8 F120 N8 O8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.1134","0.0811","","","0.23","0.2505","","","","","","1.0628","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702068","15.432","0.003","19.782","0.004","15.142","0.003","90","","90","","90","","4622.5","1.6","113.15","","113.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cd3 Cl2 N4 O10 -","- C38 H40 Cd3 Cl2 N4 O10 -","- C152 H160 Cd12 Cl8 N16 O40 -","4","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.048","0.0431","","","0.1519","0.1569","","","","","","1.187","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702406","3.822","0.005","15.405","0.005","19.739","0.005","90","","90","","90","","1162.2","1.6","200","3","200","3","","","","","","","crstal provided by C. Janiak, Uni FR","5","P b c n","-P 2n 2ab","60","[Ag(dmbp)(NO3)]","μ-(2,2'-dimethyl-4,4'-bipyrimidine)-μ-nitrato-silver(I)","","- C10 H10 Ag N5 O3 -","- C10 H10 Ag N5 O3 -","- C40 H40 Ag4 N20 O12 -","4","0.5","","Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.","Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3121","","10.1039/a904829d","","","0.71073","MoKα","","0.0345","0.0236","","","0.0559","0.0586","","","","","","0.988","","","","has coordinates","243856","2020-10-21","18:00:00",""
"7702433","20.517","0.002","27.241","0.003","15.7733","0.0017","90","","90","","90","","8815.8","1.6","158","2","158","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C31 H41.5 Cl2 N4 Ni2 O8.75 S2 -","- C31 H41.5 Cl2 N4 Ni2 O8.75 S2 -","- C248 H332 Cl16 N32 Ni16 O70 S16 -","8","1","","Brooker, Sally; Caygill, Graham B.; Croucher, Paul D.; Davidson, Tony C.; Clive, Derrick L. J.; Magnuson, Stephen R.; Cramer, Stephen P.; Ralston, Corie Y.","Conversion of some substituted phenols to the corresponding masked thiophenols, synthesis of a dinickel(II) dithiolate macrocyclic complex and isolation of some metal- and ligand-based oxidation products","Journal of the Chemical Society, Dalton Transactions","2000","","18","3113","","10.1039/b004214p","","","0.71073","MoKα","","0.1927","0.1374","","","0.3812","0.4096","","","","","","1.173","","","","has coordinates,has disorder","243866","2020-10-21","18:00:00",""
"7702465","11.882","0.005","9.871","0.004","24.086","0.01","90","","90","","90","","2825","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H10 N4 S2 -","- C16 H10 N4 S2 -","- C128 H80 N32 S16 -","8","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.136","0.0941","","","0.211","0.2307","","","","","","1.062","","","","has coordinates","243872","2020-10-21","18:00:00",""
"7702873","15.2779","0.0016","12.6491","0.0013","12.1712","0.0011","90","","90","","90","","2352.1","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Molybdenum(VI) oxide 2:1 complex with 1,2-bis(1,2,4-triazol-4- yl)ethane","Molybdenum(VI) oxide 2:1 complex with 1,2-bis(1,2,4-triazol-4-yl)ethane","","- C12 H16 Mo4 N12 O12 -","- C12 H16 Mo4 N12 O12 -","- C48 H64 Mo16 N48 O48 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4223","4231","10.1039/b922732f","","","0.71073","MoKα","","0.0805","0.0543","","","0.1194","0.1369","","","","","","0.998","","","","has coordinates,has disorder","244083","2020-10-21","18:00:00",""
"7702923","17.0348","0.0006","12.6283","0.0004","24.9682","0.0009","90","","90","","90","","5371.2","0.3","296","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 Cd N4 O8 -","- C29 H19 Cd N4 O8 -","- C232 H152 Cd8 N32 O64 -","8","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0541","0.0328","","","0.0826","0.0929","","","","","","1.022","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702931","11.7488","0.0003","9.2765","0.0003","31.8767","0.0008","90","","90","","90","","3474.17","0.17","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H36 Cu N10 O6 -","- C32 H36 Cu N10 O6 -","- C128 H144 Cu4 N40 O24 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","1.54178","CuKα","","0.0434","0.0362","","","0.0992","0.1057","","","","","","1.065","","","","has coordinates,has disorder","244823","2020-10-21","18:00:00",""
"7702932","11.7231","0.0003","9.5146","0.0003","30.8378","0.0011","90","","90","","90","","3439.67","0.19","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H36 Cu N10 O6 -","- C32 H36 Cu N10 O6 -","- C128 H144 Cu4 N40 O24 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","1.54178","CuKα","","0.0542","0.0433","","","0.1168","0.1266","","","","","","1.056","","","","has coordinates","244823","2020-10-21","18:00:00",""
"7703173","36.6408","0.0018","22.3598","0.0009","22.75","0.002","90","","90","","90","","18639","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C240 H312 Cl8 Co56 Mo96 N96 O328 -","4","0.5","","Li, Hai-Ye; Pang, Hua-Yu; Yao, Peng-Fei; Huang, Fu-Ping; Bian, He-Dong; Liang, Fu-Pei","A novel sandwich shaped {CoCoMo} cluster with a Co triangle encapsulated in two capped Co<sup>III</sup>CoMoO<sub>40</sub> fragments.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1375","1379","10.1039/c9dt04459k","","","0.7107","MoKα","","0.0815","0.0549","","","0.1481","0.1601","","","","","","1.033","","","","has coordinates","248940","2020-10-21","18:00:00",""
"7703258","21.6562","0.0007","18.6547","0.0007","24.8118","0.0007","90","","90","","90","","10023.7","0.6","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C84 H104 Au4 Cl4 Mo2 O14 P4 -","- C68 H72 Au4 Cl4 Mo2 O10 P4 -","- C272 H288 Au16 Cl16 Mo8 O40 P16 -","4","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.1423","0.0737","","","0.1819","0.2283","","","","","","1.004","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703351","15.8751","0.0006","10.53178","0.00032","10.5672","0.0004","90","","90","","90","","1766.76","0.11","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ho10 Mo2 O21 -","- Ho10 Mo2 O21 -","- Ho40 Mo8 O84 -","4","0.5","","Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N.","Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2833","2842","10.1039/c9dt04724g","powder diffraction","","","","","","","","","","","","","1.16","","","","","","","has coordinates","248979","2020-10-21","18:00:00",""
"7703389","22.063","0.004","9.969","0.002","24.523","0.005","90","","90","","90","","5393.7","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Y2 -","- C58 H50 N8 O10 Y2 -","- C232 H200 N32 O40 Y8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1152","0.0826","","","0.2071","0.2309","","","","","","1.073","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703391","22.114","0.004","9.879","0.002","24.526","0.005","90","","90","","90","","5358.1","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Ho2 N8 O10 -","- C58 H50 Ho2 N8 O10 -","- C232 H200 Ho8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0506","0.0338","","","0.0677","0.0745","","","","","","1.118","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703392","22.018","0.004","9.815","0.002","24.552","0.005","90","","90","","90","","5305.9","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Yb2 -","- C58 H50 N8 O10 Yb2 -","- C232 H200 N32 O40 Yb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1002","0.0833","","","0.1397","0.1455","","","","","","1.301","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703394","22.133","0.004","9.924","0.002","24.477","0.005","90","","90","","90","","5376.3","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Tb2 -","- C58 H50 N8 O10 Tb2 -","- C232 H200 N32 O40 Tb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0489","0.0359","","","0.0851","0.0908","","","","","","1.047","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703396","22.064","0.004","9.869","0.002","24.538","0.005","90","","90","","90","","5343.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Er2 N8 O10 -","- C58 H50 Er2 N8 O10 -","- C232 H200 Er8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.061","0.0412","","","0.0897","0.0979","","","","","","1.09","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703398","21.973","0.004","9.826","0.002","24.585","0.005","90","","90","","90","","5308.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Lu2 N8 O10 -","- C58 H50 Lu2 N8 O10 -","- C232 H200 Lu8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.063","0.0548","","","0.176","0.1889","","","","","","1.051","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703452","9.2218","0.0003","14.4491","0.0004","14.5213","0.0004","90","","90","","90","","1934.92","0.1","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H36 B3 Dy O3 -","- C12 H36 B3 Dy O3 -","- C48 H144 B12 Dy4 O12 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0349","0.0253","","","0.0746","0.0833","","","","","","1.139","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703680","7.2787","0.0016","9.128","0.002","25.164","0.006","90","","90","","90","","1671.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co N2 O3 -","- C20 H18 Co N2 O3 -","- C80 H72 Co4 N8 O12 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0629","0.0415","","","0.0937","0.1042","","","","","","0.985","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703681","7.225","0.003","9.06","0.004","25.026","0.01","90","","90","","90","","1638.2","1.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co0 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0668","0.0479","","","0.1266","0.1374","","","","","","1.062","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703682","7.2405","0.0012","9.0605","0.0013","25.074","0.004","90","","90","","90","","1644.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0742","0.0509","","","0.1108","0.1205","","","","","","1.086","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703858","16.5905","0.0007","23.4842","0.001","15.8812","0.0006","90","","90","","90","","6187.5","0.4","200","2","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H41 Br Co N2 P2 -","- C30 H41 Br Co N2 P2 -","- C240 H328 Br8 Co8 N16 P16 -","8","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0704","0.0657","","","0.2125","0.2196","","","","","","1.105","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703924","18.291","0.002","17.4258","0.0019","26.727","0.003","90","","90","","90","","8518.8","1.6","100","2","99.99","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ag4(PN)4","","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","1","0.125","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.1036","0.0713","","","0.1725","0.2138","","","","","","1.067","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703979","14.5419","0.0009","25.0959","0.0017","18.1368","0.0012","90","","90","","90","","6618.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 Mn3 N4 O14 -","- C58 H46 Mn3 N4 O14 -","- C232 H184 Mn12 N16 O56 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.1049","0.0826","","","0.2459","0.2731","","","","","","1.05","","","","has coordinates","252760","2020-10-21","18:00:00",""
"7703980","14.5387","0.0004","25.0165","0.0008","18.1249","0.0007","90","","90","","90","","6592.2","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 N4 O14 Zn3 -","- C58 H46 N4 O14 Zn3 -","- C232 H184 N16 O56 Zn12 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.0836","0.0583","","","0.1708","0.1843","","","","","","1.084","","","","has coordinates,has disorder","252760","2020-10-21","18:00:00",""
"7704061","20.5298","0.0008","15.796","0.0006","16.5926","0.0006","90","","90","","90","","5380.8","0.4","100.04","","100.04","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H45 I N3 O4.5 -","- C24 H45 I N3 O4.5 -","- C192 H360 I8 N24 O36 -","8","1","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.0636","0.0355","","","0.0814","0.0932","","","","","","1.02","","","","has coordinates","260783","2021-01-07","06:30:01",""
"7704338","16.643","0.003","9.42","0.0019","17.491","0.004","90","","90","","90","","2742.2","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 Eu N7 O9 -","- C24 H24 Eu N7 O9 -","- C96 H96 Eu4 N28 O36 -","4","0.5","","Kim, Seongwoo; Lee, Jooyeon; Jeoung, Sungeun; Moon, Hoi Ri; Kim, Min","Dual-fixations of europium cations and TEMPO species on metal-organic frameworks for the aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8060","8066","10.1039/d0dt01324b","","","0.71073","MoKα","","0.0579","0.0357","","","0.0986","0.1227","","","","","","1.008","","","","has coordinates","253866","2020-10-21","18:00:00",""
"7704888","12.5681","0.0001","12.3916","0.0001","23.3708","0.0002","90","","90","","90","","3639.74","0.05","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H32.5 Ga0.5 N -","- C20 H32.5 Ga0.5 N -","- C160 H260 Ga4 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.037","0.0357","","","0.0964","0.0976","","","","","","1.055","","","","has coordinates,has disorder","256062","2020-10-21","18:00:00",""
"7705403","24.29","0.002","25.025","0.002","28.319","0.003","90","","90","","90","","17214","3","100","2","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H117 Cu2 N6 P7 Si -","- C84 H117 Cu2 N6 P7 Si -","- C672 H936 Cu16 N48 P56 Si8 -","8","1","","Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael","Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12955","12959","10.1039/d0dt03119d","","","0.71073","MoKα","","0.1389","0.0882","","","0.2103","0.2456","","","","","","1.027","","","","has coordinates,has disorder","257504","2020-10-21","18:00:00",""
"7705694","11.1922","0.0003","11.5319","0.0003","22.9826","0.0006","90","","90","","90","","2966.3","0.14","100","2","100.01","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H46 N2 O2 S4 Zn -","- C22 H46 N2 O2 S4 Zn -","- C88 H184 N8 O8 S16 Zn4 -","4","0.5","","Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor","Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14564","14575","10.1039/d0dt03065a","","x-ray","0.71073","MoKα","","0.0367","0.0349","","","0.0728","0.0735","","","","","","1.27","","","","has coordinates,has disorder","258797","2020-11-06","11:59:35",""
"7705946","18.8341","0.0009","8.8537","0.0004","23.095","0.0012","90","","90","","90","","3851.1","0.3","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H38 Dy2 N4 O16 -","- C34 H38 Dy2 N4 O16 -","- C136 H152 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Huang, Yuan; Tello Yepes, David Felipe; Li, Haiyan; Li, Yahong; Zhang, Yi-Quan; Yao, Jinlei","Evolution from a single relaxation process to two-step relaxation processes of Dy<sub>2</sub> single-molecule magnets via the modulations of the terminal solvent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","217","228","10.1039/d0dt03093g","","","0.71073","MoKα","","0.0981","0.0484","","","0.1","0.1106","","","","","","1.01","","","","has coordinates","261646","2021-02-04","23:09:33",""
"7705947","18.6721","0.0016","9.0807","0.0008","23.3406","0.0019","90","","90","","90","","3957.5","0.6","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H42 Dy2 N4 O16 -","- C36 H42 Dy2 N4 O16 -","- C144 H168 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Huang, Yuan; Tello Yepes, David Felipe; Li, Haiyan; Li, Yahong; Zhang, Yi-Quan; Yao, Jinlei","Evolution from a single relaxation process to two-step relaxation processes of Dy<sub>2</sub> single-molecule magnets via the modulations of the terminal solvent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","217","228","10.1039/d0dt03093g","","","0.71073","MoKα","","0.0701","0.0445","","","0.1181","0.1323","","","","","","1.078","","","","has coordinates","261646","2021-02-04","23:09:33",""
"7705969","22.5312","0.0013","9.2175","0.0005","19.926","0.0012","90","","90","","90","","4138.3","0.4","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H36 Cl4 N12 Rh2 -","- C42 H36 Cl4 N12 Rh2 -","- C168 H144 Cl16 N48 Rh8 -","4","0.5","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0395","0.0298","","","0.0638","0.0673","","","","","","1.03","","","","has coordinates","261674","2021-02-04","23:15:06",""
"7706110","21.5771","0.0013","14.8112","0.0008","21.4093","0.0011","90","","90","","90","","6842","0.7","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 I N4 P -","- C32 H46 I N4 P -","- C256 H368 I8 N32 P8 -","8","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0726","0.0383","","","0.0759","0.0861","","","","","","1.015","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706189","12.4075","0.0006","11.7844","0.0007","23.102","0.0011","90","","90","","90","","3377.9","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H32 N4 O9 Zn -","- C38 H32 N4 O9 Zn -","- C152 H128 N16 O36 Zn4 -","4","0.5","","Wu, Min; Yang, Dong-Dong; Zheng, Han-Wen; Liang, Qiong-Fang; Li, Jia-Bin; Kang, Yang; Li, Sai; Jiao, Chen; Zheng, Xiang-Jun; Jin, Lin-Pei","A multi-binding site hydrazone-based chemosensor for Zn(ii) and Cd(ii): a new strategy for the detection of metal ions in aqueous media based on aggregation-induced emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1507","1513","10.1039/d0dt04062b","","x-ray","1.54184","CuKα","","0.0544","0.047","","","0.1332","0.1414","","","","","","1.062","","","","has coordinates","261654","2021-02-04","23:11:36",""
"7706366","11.836","0.004","22.892","0.008","14.199","0.005","90","","90","","90","","3847","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","4-Cl(Dur)","","- C32 H49 B Cl2 F4 P4 Pt2 -","- C32 H49 B Cl2 F4 P4 Pt2 -","- C128 H196 B4 Cl8 F16 P16 Pt8 -","4","0.5","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.024","0.018","","","0.0388","0.0404","","","","","","1.038","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706383","10.532","0.0004","8.4511","0.0003","13.5945","0.0005","90","","90","","90","","1210.01","0.08","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Ir K3 N6 -","- C6 Ir K3 N6 -","- C24 Ir4 K12 N24 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0285","0.017","","","0.0385","0.0426","","","","","","1.208","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706385","10.3511","0.0005","8.3612","0.0004","13.3549","0.0007","90","","90","","90","","1155.83","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C24 Co4 K12 N24 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.1139","0.1002","","","0.2784","0.2496","","","","","","1.3","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706389","10.5092","0.0016","8.4568","0.0012","13.5808","0.0019","90","","90","","90","","1207","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 K3 N6 Rh -","- C6 K3 N6 Rh -","- C24 K12 N24 Rh4 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.1172","0.0927","","","0.2851","0.3105","","","","","","1.241","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706413","10.532","0.0004","8.4511","0.0003","13.5945","0.0005","90","","90","","90","","1210.01","0.08","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Ir K3 N6 -","- C6 Ir K3 N6 -","- C24 Ir4 K12 N24 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0285","0.017","","","0.0385","0.0426","","","","","","1.208","","","","has coordinates","262661","2021-03-05","02:09:59",""
"7706417","10.3511","0.0005","8.3612","0.0004","13.3549","0.0007","90","","90","","90","","1155.83","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C24 Co4 K12 N24 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.1139","0.1002","","","0.2784","0.2496","","","","","","1.3","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7706419","10.5092","0.0016","8.4568","0.0012","13.5808","0.0019","90","","90","","90","","1207","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 K3 N6 Rh -","- C6 K3 N6 Rh -","- C24 K12 N24 Rh4 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.1172","0.0927","","","0.2851","0.3105","","","","","","1.241","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7706461","20.7493","0.0004","9.4763","0.0002","20.3286","0.0004","90","","90","","90","","3997.14","0.14","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H40 N6 Ni3 O10 S2 -","- C36 H40 N6 Ni3 O10 S2 -","- C144 H160 N24 Ni12 O40 S8 -","4","0.5","","Thakurta, Santarupa; Maiti, Monami; Butcher, Ray J.; Gómez-García, Carlos J; Tsaturyan, Arshak A.","A trinuclear nickel(II) Schiff base complex with phenoxido- and acetato-bridges: combined experimental and theoretical magneto-structural correlation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2200","2209","10.1039/d0dt03969a","","","0.71073","MoKα","","0.0745","0.0307","","","0.0618","0.0705","","","","","","0.93","","","","has coordinates","262633","2021-03-05","02:02:01",""
"7706663","34.6428","0.0011","7.5712","0.0002","10.6915","0.0002","90","","90","","90","","2804.25","0.13","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5-bis(3-pyridylethynyl)thiophene","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C144 H80 N16 S8 -","8","1","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","1.54178","CuKα","","0.0848","0.0767","","","0.1914","0.1965","","","","","","1.162","","","","has coordinates","263770","2021-04-05","14:52:37",""
"7706843","13.065","0.004","15.691","0.005","16.493","0.005","90","","90","","90","","3381.1","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H18 I N21 Pb2 -","- C30 H18 I N21 Pb2 -","- C120 H72 I4 N84 Pb8 -","4","0.5","","Liu, Xing; Zhang, Ting-Ting; Zhou, Jian; Xiang, Bin; Liu, Jiang-Tao","A novel 3-D lead-iodide polymer based on the linkage of rare binuclear [Pb<sub>2</sub>I]<sup>3+</sup> cations and anionic bis(pyrazinyl)-trizole bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4486","4489","10.1039/d1dt00471a","","","0.71073","MoKα","","0.0639","0.0378","","","0.0759","0.0856","","","","","","1.086","","","","has coordinates","264901","2021-05-05","08:39:28",""
"7706912","22.775","0.0014","22.3023","0.0013","17.1996","0.001","90","","90","","90","","8736.3","0.9","100","","99.99","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H76 Cr K N2 Si2 -","- C42 H76 Cr K N2 Si2 -","- C336 H608 Cr8 K8 N16 Si16 -","8","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.0895","0.0562","","","0.1031","0.1112","","","","","","1.044","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7707070","14.5175","0.0008","10.1261","0.0008","19.369","0.001","90","","90","","90","","2847.4","0.3","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 Mn2 N6 O8 -","- C28 H20 Mn2 N6 O8 -","- C112 H80 Mn8 N24 O32 -","4","0.5","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.146","0.0907","","","0.1567","0.1697","","","","","","1.138","","","","has coordinates","266009","2021-06-05","18:32:56",""
"7707155","17.5141","0.0015","15.645","0.0014","21.5767","0.0019","90","","90","","90","","5912.2","0.9","185","2","185","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C72 H80 N4 Ni -","- C72 H80 N4 Ni -","- C288 H320 N16 Ni4 -","4","0.5","","Xu, Shuyun; Chen, Xuemeng; Luo, Gen; Gao, Wei","Nickel complexes based on BIAN ligands: transformation and catalysis on ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7356","7363","10.1039/d1dt00649e","","","0.71073","MoKα","","0.0908","0.0504","","","0.1059","0.1216","","","","","","1.034","","","","has coordinates","266110","2021-06-05","19:02:48",""
"7707255","20.9252","0.0004","29.1241","0.0004","31.8841","0.0004","90","","90","","90","","19431.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H14 B F20 Fe -","- C36 H14 B F20 Fe -","- C864 H336 B24 F480 Fe24 -","24","3","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0707","0.0531","","","0.1248","0.1346","","","","","","1.113","","","","has coordinates,has disorder","266107","2021-06-05","19:02:05",""
"7707328","12.2002","0.0003","12.6969","0.0003","18.9004","0.0005","90","","90","","90","","2927.76","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H32 Cd N4 O8 S2 -","- C26 H32 Cd N4 O8 S2 -","- C104 H128 Cd4 N16 O32 S8 -","4","0.5","","Guo, Dan-Dan; Li, Bo; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","A rational design of layered metal-organic framework towards high-performance adsorption of hazardous organic dye.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7818","7825","10.1039/d0dt04174b","","","0.71073","MoKα","","0.0517","0.0344","","","0.0706","0.0784","","","","","","1.034","","","","has coordinates","267162","2021-07-05","17:34:39",""
"7707424","16.1575","0.0003","22.6823","0.0004","13.9296","0.0003","90","","90","","90","","5105.05","0.17","294","2","294","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","Chloro- (η^5^-pentamethylcyclopentadienyl)(4,4'-dimethyl-2,2'-bipyridine )- rhodium(III)- trifluoromethanesulfonate'","","- C23 H27 Cl F3 N2 O3 Rh S -","- C23 H27 Cl F3 N2 O3 Rh S -","- C184 H216 Cl8 F24 N16 O24 Rh8 S8 -","8","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","1.54187","CuKα","","0.0604","0.0581","","","0.1092","0.1098","","","","","","1.381","","","","has coordinates","267188","2021-07-05","17:42:41",""
"7707531","22.1561","0.0001","18.9237","0.0001","19.3441","0.0001","90","","90","","90","","8110.51","0.07","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H60 Eu N6 O23.5 Pt -","- C23 H60 Eu N6 O23.5 Pt -","- C184 H480 Eu8 N48 O188 Pt8 -","8","1","","Yao, Kezi; Karunanithy, Gogulan; Howarth, Alison; Holdship, Philip; Thompson, Amber L.; Christensen, Kirsten E.; Baldwin, Andrew J.; Faulkner, Stephen; Farrer, Nicola J.","Cell-permeable lanthanide-platinum(IV) anti-cancer prodrugs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8761","8767","10.1039/d1dt01688a","","","1.54184","CuKα","","0.0869","0.0853","","0.2057","0.2","0.2057","","","","","","0.9995","","","","has coordinates,has disorder","267176","2021-07-05","17:38:31",""
"7707956","9.5213","0.0011","15.3494","0.0017","15.8099","0.0018","90","","90","","90","","2310.6","0.5","150","2","150.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","U(H-PDB)","U(BH3Ph2BH3)I2(THF)3","","- C12 H24 B2 I2 O3 P U -","- C12 H24 B2 I2 O3 P U -","- C48 H96 B8 I8 O12 P4 U4 -","4","0.5","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.0771","0.0548","","","0.1563","0.1727","","","","","","1.084","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707960","50.919","0.002","23.3103","0.0008","20.2832","0.0008","90","","90","","90","","24074.9","1.6","296","2","296.15","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C12 H152 N6 Na14 O212 Se6 W44 Yb4 -","- C8 H36 N4 Na O181 Se6 W44 Yb4 -","- C32 H144 N16 Na4 O724 Se24 W176 Yb16 -","4","0.5","","Han, Li-Zhi; Jiao, Cheng-Qi; Chen, Wei-Chao; Shao, Kui-Zhan; Jin, Long-Yi; Su, Zhong-Min","Assembly of tetra-nuclear Yb<sup>III</sup>-containing selenotungstate clusters: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11535","11541","10.1039/d1dt01282g","","","0.71073","MoKα","","0.119","0.0552","","","0.112","0.1392","","","","","","1.029","","","","has coordinates,has disorder","268753","2021-09-06","11:09:07",""
"7708822","17.4359","0.0006","16.6515","0.0006","24.209","0.0008","90","","90","","90","","7028.7","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","ImMe2-Ge(OtBu)2","","- C13 H26 Ge N2 O2 -","- C13 H26 Ge N2 O2 -","- C208 H416 Ge16 N32 O32 -","16","2","","Sinclair, Jocelyn; Medroa Del Pino, William; Aku-Dominguez, Kwami; Minami, Yohei; Kiran, Anagha; Ferguson, Michael J.; Yasuda, Makoto; Rivard, Eric","Access to metastable [GeH2]n materials via a molecular “bottom-up” approach","Dalton Transactions","2021","","","","","10.1039/D1DT02850B","","","1.54178","CuKα","","0.0541","0.0358","","","0.0869","0.0992","","","","","","1.031","","","","has coordinates","270670","2021-11-16","00:10:00",""
"7708884","8.6618","0.0008","17.2729","0.0016","19.7054","0.0018","90","","90","","90","","2948.2","0.5","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H32 Br Dy N4 O4 -","- C30 H32 Br Dy N4 O4 -","- C120 H128 Br4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0417","0.0292","","","0.0583","0.065","","","","","","1.174","","","","has coordinates","270757","2021-11-19","00:04:41",""
"7708886","8.6217","0.0012","17.052","0.002","19.783","0.003","90","","90","","90","","2908.4","0.7","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H32 Cl Dy N4 O4 -","- C30 H32 Cl Dy N4 O4 -","- C120 H128 Cl4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0431","0.0279","","","0.0559","0.0641","","","","","","1.257","","","","has coordinates","270757","2021-11-19","00:04:47",""
"7709014","28.371","0.003","8.6644","0.0009","22.055","0.002","90","","90","","90","","5421.5","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C232 H192 B8 F80 N8 -","8","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.1574","0.0682","","","0.1128","0.1306","","","","","","1.02","","","","has coordinates","271071","2021-12-04","00:00:17",""
"7709020","28.371","0.003","8.6644","0.0009","22.055","0.002","90","","90","","90","","5421.5","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C232 H192 B8 F80 N8 -","8","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.1574","0.0682","","","0.1128","0.1306","","","","","","1.02","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709120","30.5669","0.0019","18.0426","0.0012","19.5693","0.001","90","","90","","90","","10792.6","1.1","123","2","123","2","","","","","","","","11","P b c n","-P 2n 2ab","60","","Carbonyl-bromido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}tungsten(II)-(μ-η2-C,C?-κ2-C,N-prop-1-in-1,3-diylpyridine)-bis(2,2?-bipyridine)ruthenium(II)-hexafluorophosphate","","- C48.38 H52.75 B Br Cl2.75 F6 N11 O P Ru W -","- C47.5 H51 B Br Cl F6 N11 O P Ru W -","- C380 H408 B8 Br8 Cl8 F48 N88 O8 P8 Ru8 W8 -","8","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.0643","0.0479","","","0.0701","0.0743","","","","","","1.161","","","","has coordinates,has disorder","271549","2021-12-20","23:55:16",""
"7709163","24.908","0.003","7.1377","0.0007","16.5359","0.0017","90","","90","","90","","2939.8","0.5","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H10 N6 O7 Zn -","- C11 H10 N6 O7 Zn -","- C88 H80 N48 O56 Zn8 -","8","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0765","0.0549","","","0.0991","0.1059","","","","","","1.112","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709180","42.1677","0.0008","18.8932","0.0004","16.6565","0.0003","90","","90","","90","","13269.9","0.4","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H96 Cl Ga2 N4 P S -","- C71 H96 Cl Ga2 N4 P S -","- C568 H768 Cl8 Ga16 N32 P8 S8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","0.71073","MoKα","","0.0581","0.0392","","","0.0827","0.0896","","","","","","1.132","","","","has coordinates,has disorder","272693","2022-02-04","19:46:56",""
"7709198","20.6518","0.0004","9.8071","0.0002","15.1637","0.0003","90","","90","","90","","3071.17","0.11","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H9 Cu N6 O4 S -","- C12 H9 Cu N6 O4 S -","- C96 H72 Cu8 N48 O32 S8 -","8","1","","Mi, Fu-Qi; Ma, Fa-Xue; Zou, Shui-Xiang; Zhan, Dong-Sun; Zhang, Teng","A proton-conductive metal-organic framework based on imidazole and sulphate ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1313","1317","10.1039/d1dt04129k","","","1.54184","CuKα","","0.0811","0.0757","","","0.2535","0.2619","","","","","","1.101","","","","has coordinates","272686","2022-02-04","19:44:45",""
"7709246","19.3556","0.0004","22.3068","0.0004","23.0775","0.0004","90","","90","","90","","9964","0.3","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C54 H45 F6 N4 O3 P3 Ru S -","- C54 H45 F6 N4 O3 P3 Ru S -","- C432 H360 F48 N32 O24 P24 Ru8 S8 -","8","1","","Grawe, Gregory F.; Oliveira, Katia M.; Leite, Celisnolia M.; de Oliveira, Tamires D.; Honorato, João; Ferreira, Antonio G.; Castellano, Eduardo E.; Cominetti, Marcia R.; Correa, Rodrigo S.; Batista, Alzir A.","Ruthenium(II)-diphosphine complexes containing acylthiourea ligands are effective against lung and breast cancers.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1489","1501","10.1039/d1dt02851k","","x-ray","0.71073","MoKα","","0.0796","0.05","","","0.0961","0.1252","","","","","","1.288","","","","has coordinates,has disorder","272695","2022-02-04","19:48:32",""
"7709412","9.8591","0.0004","8.6238","0.0004","9.3131","0.0003","90","","90","","90","","791.83","0.06","296","","296","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Al2 B3 F3 O8 Pb2 -","- Al2 B3 F3 O8 Pb2 -","- Al8 B12 F12 O32 Pb8 -","4","0.5","","Jiang, Bao; Shu, Shan; Yang, Zhihua; Zhang, Fangfang; Zhang, Min; Pan, Shilie","Pb2Al2B3O8F3: Structure and Properties of a New Fluoroaluminoborate with Non-traditional Chain-like B3O8 Group","Dalton Transactions","2022","","","","","10.1039/D1DT04312A","","","0.71073","MoKα","","0.0256","0.0197","","","0.0408","0.0429","","","","","","1.026","","","","has coordinates,has disorder","272437","2022-02-02","23:53:55",""
"7709432","20.7008","0.0001","12.4504","0.0001","27.2297","0.0002","90","","90","","90","","7018","0.08","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H35 Au N4 -","- C26 H35 Au N4 -","- C312 H420 Au12 N48 -","12","1.5","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0236","0.0194","","","0.0447","0.0462","","","","","","1.039","","","","has coordinates,has disorder","272800","2022-02-04","23:52:28",""
"7709656","34.7954","0.0011","13.291","0.0004","13.5036","0.0004","90","","90","","90","","6245","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H47 B2 Cl O4.5 P3 Rh -","- C23 H47 B2 Cl O4.5 P3 Rh -","- C184 H376 B16 Cl8 O36 P24 Rh8 -","8","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.061","0.0383","","","0.082","0.0913","","","","","","1.028","","","","has coordinates,has disorder","273445","2022-03-04","23:57:21",""
"7709973","15.942","0.003","9.5116","0.0015","18.694","0.003","90","","90","","90","","2834.6","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Cl2 N4 Ni O4 -","- C30 H26 Cl2 N4 Ni O4 -","- C120 H104 Cl8 N16 Ni4 O16 -","4","0.5","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.127","0.0589","","","0.1249","0.1504","","","","","","1.027","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709974","15.8939","0.0008","9.8509","0.0004","18.1551","0.0008","90","","90","","90","","2842.5","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H22 Cl2 N4 Ni O4 -","- C30 H22 Cl2 N4 Ni O4 -","- C120 H88 Cl8 N16 Ni4 O16 -","4","0.5","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.1524","0.0676","","","0.1204","0.1466","","","","","","1.035","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709988","27.0578","0.0007","11.1058","0.0003","24.735","0.0007","90","","90","","90","","7432.8","0.3","150","2","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C37 H36 Cl2 I2 N4 Ni O3 -","- C37 H36 Cl2 I2 N4 Ni O3 -","- C296 H288 Cl16 I16 N32 Ni8 O24 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0852","0.0708","","","0.1454","0.1524","","","","","","1.228","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7710426","12.765","0.003","19.68","0.005","37.663","0.01","90","","90","","90","","9462","4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H23 Mo12 N2 Na0.5 O47 P -","- C4 H8 Mo12 N2 Na0.935 O47 P -","- C32 H64 Mo96 N16 Na7.48 O376 P8 -","8","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0703","0.0553","","","0.1763","0.1858","","","","","","1.078","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710444","18.9906","0.0007","20.0361","0.0009","14.819","0.0006","90","","90","","90","","5638.6","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Cl2 N8 O14 Ru2 -","- C60 H40 Cl2 N8 O14 Ru2 -","- C240 H160 Cl8 N32 O56 Ru8 -","4","0.5","","Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis","Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01466A","","x-ray","0.71073","MoKα","","0.1114","0.0843","","","0.1834","0.1985","","","","","","1.07","","","","has coordinates","275930","2022-06-08","22:57:25",""
"7710506","22.7586","0.0003","7.1517","0.0001","26.0618","0.0004","90","","90","","90","","4241.89","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20.5 H14 Cl3 F4 N3 Pd -","- C20.5 H14 Cl3 F4 N3 Pd -","- C164 H112 Cl24 F32 N24 Pd8 -","8","1","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0279","0.0234","","","0.0558","0.0572","","","","","","1.039","","","","has coordinates","276072","2022-06-16","22:53:48",""
"7710603","23.8272","0.0003","18.6423","0.0002","15.0968","0.0002","90","","90","","90","","6705.91","0.14","100.01","0.15","100.01","0.15","","","","","","","Rostov-on-Don, Russia","7","P b c n","-P 2n 2ab","60","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","","- C32 H38 F6.01 Fe N4 O2 P -","- C32 H38 F6.006 Fe N4 O2 P -","- C256 H304 F48.048 Fe8 N32 O16 P8 -","8","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.038","0.0339","","","0.0842","0.0877","","","","","","1.023","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710604","24.0039","0.0003","18.8295","0.0002","15.3066","0.0001","90","","90","","90","","6918.3","0.12","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","","- C32 H38 F6 Fe N4 O2 P -","- C32 H38 F6 Fe N4 O2 P -","- C256 H304 F48 Fe8 N32 O16 P8 -","8","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0537","0.0467","","","0.1256","0.1332","","","","","","1.056","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710761","14.7315","0.0003","15.354","0.0003","16.2276","0.0003","90","","90","","90","","3670.48","0.12","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H63 F6 O2 P3 Pd -","- C32 H63 F6 O2 P3 Pd -","- C128 H252 F24 O8 P12 Pd4 -","4","0.5","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","0.71073","MoKα","","0.0872","0.0834","","","0.186","0.1873","","","","","","1.436","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710913","13.876","0.003","40.319","0.008","33.407","0.007","90","","90","","90","","18690","7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C98 H66 Cl4 Co2 N16 O16 -","- C90 H54 Co2 N12 -","- C720 H432 Co16 N96 -","8","1","","Siddique, Rashid G.; Arachchige, Kasun; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Sterics and metal-ion radius control the self-assembly of [M2L3] helicates","Dalton Transactions","2022","","","","","10.1039/D2DT02241A","","","0.7108","synchrotron","","0.2101","0.1468","","","0.3449","0.388","","","","","","0.91","","","","has coordinates","277061","2022-08-03","22:54:21",""
"7711252","14.952","0.005","24.363","0.005","14.825","0.005","90","0.005","90","0.005","90","0.005","5400","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 Dy2 N6 Ni2 O18 -","- C54 H56 Dy2 N6 Ni2 O18 -","- C216 H224 Dy8 N24 Ni8 O72 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71069","MoKα","","0.1543","0.0476","","","0.0595","0.0789","","","","","","0.986","","","","has coordinates","277903","2022-09-15","22:35:20",""
"7711253","14.939","0.005","24.343","0.005","14.845","0.005","90","0.005","90","0.005","90","0.005","5399","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 Gd2 N6 Ni2 O18 -","- C54 H56 Gd2 N6 Ni2 O18 -","- C216 H224 Gd8 N24 Ni8 O72 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71069","MoKα","","0.0932","0.038","","","0.0745","0.0893","","","","","","1.023","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711254","14.824","0.003","24.353","0.005","14.61","0.003","90","","90","","90","","5274.3","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 N6 Ni2 O18 Tb2 -","- C54 H56 N6 Ni2 O18 Tb2 -","- C216 H224 N24 Ni8 O72 Tb8 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71073","MoKα","","0.0683","0.0457","","","0.1042","0.1168","","","","","","1.075","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711255","15.0051","0.0007","24.3858","0.001","14.8468","0.0008","90","","90","","90","","5432.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 N6 Ni2 O18 Y2 -","- C54 H56 N6 Ni2 O18 Y2 -","- C216 H224 N24 Ni8 O72 Y8 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","x-ray","0.71073","MoKα","","0.082","0.0464","","","0.0995","0.1108","","","","","","1.023","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711289","13.6821","0.0003","11.8577","0.0003","11.8639","0.0003","90","","90","","90","","1924.78","0.08","100","0.1","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H28 Al Cl2 P2 Rh -","- C14 H28 Al Cl2 P2 Rh -","- C56 H112 Al4 Cl8 P8 Rh4 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.021","0.0179","","","0.0479","0.0495","","","","","","1.104","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711292","13.6878","0.0003","11.8285","0.0002","11.8398","0.0002","90","","90","","90","","1916.94","0.06","100","0.1","100","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H28 Al Cl2 Ir P2 -","- C14 H28 Al Cl2 Ir P2 -","- C56 H112 Al4 Cl8 Ir4 P8 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0277","0.0199","","","0.0445","0.0483","","","","","","1.147","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711615","12.2442","0.0012","32.934","0.003","8.7564","0.0007","90","","90","","90","","3531","0.6","100","2","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H24 Cr F6 N10 P -","- C36 H24 Cr F6 N10 P -","- C144 H96 Cr4 F24 N40 P4 -","4","0.5","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","1.54178","CuKα","","0.2018","0.1936","","","0.4354","0.4383","","","","","","1.179","","","","has coordinates","283327","2023-05-05","02:29:38",""
"7711702","16.877","0.003","18.316","0.003","8.1927","0.0015","90","","90","","90","","2532.5","0.8","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br2 Cl2 N2 O4 Zn -","- C26 H14 Br2 Cl2 N2 O4 Zn -","- C104 H56 Br8 Cl8 N8 O16 Zn4 -","4","0.5","","Zianna, Ariadni; Vradi, Ellie; Hatzidimitriou, Antonios G.; Kalogiannis, Stavros; Psomas, George","Zinc(ii) complexes of 3-bromo-5-chloro-salicylaldehyde: characterization and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02404G","","","0.71073","MoKα","","0.0619","0.0364","","0.0713","0.0622","0.0622","","","","","","1","","","","has coordinates","279047","2022-11-07","23:56:41",""
"7711737","34.256","0.015","9.7","0.003","15.386","0.005","90","","90","","90","","5113","3","140","2","140","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H38 Cl4 Co N2 O4 Se4 -","- C52 H38 Cl4 Co N2 O4 Se4 -","- C208 H152 Cl16 Co4 N8 O16 Se16 -","4","0.5","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.1021","0.0961","","","0.2206","0.2232","","","","","","1.293","","","","has coordinates,has disorder","283225","2023-05-05","01:37:07",""
"7711814","12.4013","0.001","14.448","0.0012","7.3981","0.0006","90","","90","","90","","1325.55","0.19","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 F10 K2 Mn O6 -","- C6 F10 K2 Mn O6 -","- C24 F40 K8 Mn4 O24 -","4","0.5","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.1168","0.1028","","","0.2461","0.2518","","","","","","1.27","","","","has coordinates,has disorder","279410","2022-11-18","23:50:19",""
"7712051","16.7171","0.0006","14.3676","0.0006","37.0248","0.0011","90","","90","","90","","8892.8","0.6","293","2","293","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C34 H35 B Cl6 F7 Ni O P S -","- C34 H35 B Cl6 F7 Ni O P S -","- C272 H280 B8 Cl48 F56 Ni8 O8 P8 S8 -","8","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C","Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1425","1432","10.1039/d2dt03948f","","x-ray","0.71073","MoKα","","0.1476","0.0896","","","0.2418","0.2851","","","","","","1.034","","","","has coordinates","283259","2023-05-05","01:51:07",""
"7712411","11.6006","0.0012","29.178","0.003","37.483","0.004","90","","90","","90","","12687","2","291.14","","291.14","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 Co6 N10 O26 -","- C58 H42 Co6 N10 O26 -","- C464 H336 Co48 N80 O208 -","8","1","","Zhang, Wen-Sha; Wang, Guang-Qing; Wang, Yu-Xin; Yang, Yan-Li; Bai, Xue; Cui, Hong; Lu, Ying; Liu, Shuxia","A Multifunctional Cobalt-Organic Framework for Proton Conduction and Selective Sensing of Fe3+ Ions","Dalton Transactions","2023","","","","","10.1039/D3DT00259D","","","0.71073","MoKα","","0.0566","0.0429","","","0.1015","0.1087","","","","","","1.058","","","","has coordinates","281143","2023-02-25","08:42:13",""
"7712440","17.409","0.005","25.656","0.007","24.249","0.006","90","","90","","90","","10831","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C91 H156 N4 Ni5.82 O23 Pt6.18 -","- C91 H156 N4 Ni5.818 O23 Pt6.182 -","- C364 H624 N16 Ni23.272 O92 Pt24.728 -","4","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.1237","0.0967","","","0.2399","0.2643","","","","","","1.125","","","","has coordinates,has disorder","283328","2023-05-05","02:31:00",""
"7712474","24.7026","0.001","16.5078","0.0006","18.7687","0.0007","90","","90","","90","","7653.6","0.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C30 H46 F6 N2 O10 P S2 Sn -","- C27 H39 F6 N2 O10 P S2 Sn -","- C216 H312 F48 N16 O80 P8 S16 Sn8 -","8","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0722","0.0386","","","0.0813","0.0886","","","","","","1.051","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712546","18.1381","0.0003","16.7952","0.0003","7.5553","0.0001","90","","90","","90","","2301.59","0.06","100","0.2","100","0.2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C88 H60 Cl8 F24 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0356","0.0259","","","0.0627","0.0662","","","","","","1.04","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712678","13.1143","0.0002","18.5283","0.0002","38.6732","0.0005","90","","90","","90","","9397","0.2","293.15","","293.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","znpypod","","- C66 H106 Cl9 N22 Na O30 Zn4 -","- C66 H106 Cl9 N22 Na O30 Zn4 -","- C264 H424 Cl36 N88 Na4 O120 Zn16 -","4","0.5","","Gonzalez, Jorge; Galiana, Carolina; Dea-Ayuela, M. Auxiliadora; Radic Stojkovic, Marijana; López-Molina, Sonia; Galiana-Rosello, Cristina; Blasco, Salvador; Piantanida, Ivo; García-España, Enrique","Impact of the Zinc complexation of polytopic polyaza ligands on the interaction with double and single stranded DNA/RNA and antimicrobial activity","Dalton Transactions","2023","","","","","10.1039/D3DT00395G","","","0.71073","MoKα","","0.1386","0.0669","","","0.1978","0.2313","","","","","","1.045","","","","has coordinates","282082","2023-03-27","22:56:49",""
"7712860","22.5884","0.0003","18.63906","0.00018","19.03955","0.00018","90","","90","","90","","8016.16","0.15","192","3","192","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H49 Ca N5 Se -","- C38 H49 Ca N5 Se -","- C304 H392 Ca8 N40 Se8 -","8","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0506","0.0436","","","0.1151","0.1203","","","","","","1.037","","","","has coordinates","282834","2023-04-25","22:55:07",""
"7712874","14.0515","0.0015","15.0725","0.0015","17.2359","0.0019","90","","90","","90","","3650.4","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H24 F12 N4 P2 Pt S2 -","- C38 H24 F12 N4 P2 Pt S2 -","- C152 H96 F48 N16 P8 Pt4 S8 -","4","0.5","","Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent 2-phenylbenzothiazole Pt<sup>IV</sup> bis-cyclometalated complexes with phenanthroline-based ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00801k","","x-ray","0.71073","MoKα","","0.0295","0.0278","","","0.0602","0.0605","","","","","","1.249","","","","has coordinates","282862","2023-04-26","22:58:19",""
"7712970","23.5034","0.001","9.7906","0.0005","19.648","0.0011","90","","90","","90","","4521.2","0.4","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H16 B Br F2 N2 O2 -","- C25 H16 B Br F2 N2 O2 -","- C200 H128 B8 Br8 F16 N16 O16 -","8","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0855","0.0747","","","0.1882","0.1971","","","","","","1.038","","","","has coordinates","283602","2023-05-08","22:49:14",""
"7713317","22.377","0.0014","13.3328","0.0008","15.5757","0.0008","90","","90","","90","","4647","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H30 Nb2 O29 -","- C36 H30 Nb2 O29 -","- C144 H120 Nb8 O116 -","4","0.5","","Talukdar, Hiya; Gogoi, Sandhya Rani; Sultana, Sazida Yasmin; Begum, Reshma; Dowerah, Dikshita; Sarma, Bipul; Islam, Nashreen S.","Oxido- and Mixed-Ligand Peroxido Complexes of Niobium(V) as Potent Phosphatase Inhibitors and Efficient Catalysts for Eco-Friendly Styrene Epoxidation","Dalton Transactions","2023","","","","","10.1039/D3DT01177A","","","0.71073","MoKα","","0.0966","0.0495","","","0.1237","0.1481","","","","","","0.974","","","","has coordinates","284632","2023-06-29","11:12:18",""
"7713570","7.917","0.003","7.942","0.004","37.185","0.013","90","","90","","90","","2338.1","1.7","293.15","","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H22 Br4 Cd Cl2 N2 -","- C16 H22 Br4 Cd Cl2 N2 -","- C64 H88 Br16 Cd4 Cl8 N8 -","4","0.5","","Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Wen, Jia Hui; Shi, Huijuan; Fan, Xiao-Wei; Li, QiaoLING; Wang, Meng Na","Halogen Regulating Induced Reversible High-T-Dielectric-Thermal Transitions in Novel Layered Organic-Inorganic Hybrid Semiconducting Crystals","Dalton Transactions","2023","","","","","10.1039/D3DT01499A","","","0.71076","MoKα","","0.0946","0.079","","","0.1972","0.205","","","","","","1.257","","","","has coordinates","285340","2023-07-25","22:54:55",""
"7713759","12.2648","0.0009","15.2916","0.0012","9.99","0.0008","90","","90","","90","","1873.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Al4 B14 Cs6 H4 O32 -","- Al4 B14 Cs6 H4 O32 -","- Al8 B28 Cs12 H8 O64 -","2","0.25","","Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu","Three new aluminoborates: From 1D tube to 3D framework","Dalton Transactions","2023","","","","","10.1039/D3DT02374E","","","0.71073","MoKα","","0.0384","0.0333","","","0.096","0.1005","","","","","","1.026","","","","has coordinates","285825","2023-08-21","22:49:43",""
"7713760","12.0255","0.0008","14.8843","0.0011","9.927","0.0006","90","","90","","90","","1776.8","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Al4 B14 Cs4 H4 K2 O32 -","- Al4 B14 Cs4 H4 K2 O32 -","- Al8 B28 Cs8 H8 K4 O64 -","2","0.25","","Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu","Three new aluminoborates: From 1D tube to 3D framework","Dalton Transactions","2023","","","","","10.1039/D3DT02374E","","","0.71073","MoKα","","0.042","0.0356","","","0.1096","0.115","","","","","","1.117","","","","has coordinates","285825","2023-08-21","22:49:43",""
"7714003","13.1733","0.001","21.389","0.002","16.5014","0.001","90","","90","","90","","4649.5","0.6","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N2 O10 -","- C21 H13 N O10 -","- C168 H104 N8 O80 -","8","1","","Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya","U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode","Dalton Transactions","2023","","","","","10.1039/D3DT01869E","","","0.71073","MoKα","","0.1238","0.0818","","","0.2146","0.2473","","","","","","1.0551","","","","has coordinates","286457","2023-09-21","22:56:01",""
"7714045","12.2049","0.0002","14.8651","0.0003","7.6069","0.0001","90","","90","","90","","1380.1","0.04","100","2","100.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","4-aminopyridinium iodobismuthate","","","- C5 H6 Bi I4 N2 -","- C5 H6 Bi I4 N2 -","- C20 H24 Bi4 I16 N8 -","4","0.5","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0244","0.0202","","","0.0431","0.044","","","","","","1.08","","","","has coordinates","286597","2023-09-28","22:56:31",""
"7714140","13.7388","0.0005","12.7766","0.0005","28.3069","0.0009","90","","90","","90","","4968.9","0.3","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C57 H39 Cl2 Ir N4 O6 -","- C57 H39 Cl2 Ir N4 O6 -","- C228 H156 Cl8 Ir4 N16 O24 -","4","0.5","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0341","0.0239","","","0.0522","0.0562","","","","","","1.063","","","","has coordinates","286835","2023-10-06","23:03:35",""
"7714205","10.0855","0.0006","18.6517","0.001","7.944","0.0004","90","","90","","90","","1494.36","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H22 Co F6 N4 O2 P -","- C8 H22 Co F6 N4 O2 P -","- C32 H88 Co4 F24 N16 O8 P4 -","4","0.5","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0394","0.035","","","0.094","0.0973","","","","","","1.059","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714214","19.2961","0.0003","8.0694","0.0001","27.6193","0.0005","90","","90","","90","","4300.54","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H34 Cl5 Co N4 O2 -","- C12 H34 Cl5 Co N4 O2 -","- C96 H272 Cl40 Co8 N32 O16 -","8","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","0.71073","MoKα","","0.0414","0.0327","","","0.0728","0.0793","","","","","","1.166","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714243","13.35","0.003","8.745","0.002","15.324","0.004","90","","90","","90","","1789","0.7","101","2","101","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Co N6 O4 -","- C16 H22 Co N6 O4 -","- C64 H88 Co4 N24 O16 -","4","0.5","","C S, Akshaya Keerthi; Das, Sandip; kulbir, Kulbir; Bhardwaj, Prabhakar; Sk, Md Palashuddin; Kumar, Pankaj","Mechanistic Insights of Nitric Oxide Oxygenation (NOO) Reactions of {CrNO}5 & {CoNO}8","Dalton Transactions","2023","","","","","10.1039/D3DT03177B","","","0.71073","MoKα","","0.1046","0.097","","","0.2668","0.2736","","","","","","1.123","","","","has coordinates","287011","2023-10-17","22:56:53",""
"7714267","10.929","0.0004","10.2818","0.0004","13.9166","0.0005","90","","90","","90","","1563.81","0.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H23 B F2 N2 -","- C15 H23 B F2 N2 -","- C60 H92 B4 F8 N8 -","4","0.5","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0465","0.0392","","","0.1049","0.1089","","","","","","1.087","","","","has coordinates","287067","2023-10-20","23:05:40",""
"7714462","23.5238","0.0015","8.6067","0.0005","21.8982","0.0013","90","","90","","90","","4433.6","0.5","102","","102","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","1-MeCN","","- C14 H3 F24 Ge N O4 -","- C14 H3 F24 Ge N O4 -","- C112 H24 F192 Ge8 N8 O32 -","8","1","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0686","0.0458","","","0.1171","0.1315","","","","","","1.017","","","","has coordinates","289462","2024-02-04","11:44:12",""
"7714762","13.6953","0.0013","21.185","0.002","21.563","0.002","90","","90","","90","","6256.2","1","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co2 F24 Fe2 N4 O11 -","- C54 H46 Co2 F24 Fe2 N4 O11 -","- C216 H184 Co8 F96 Fe8 N16 O44 -","4","0.5","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","1.54178","CuKα","","0.059","0.0408","","","0.0999","0.1078","","","","","","0.942","","","","has coordinates,has disorder","289503","2024-02-04","11:56:54",""
"7714933","7.2567","0.0016","12.446","0.003","22.2","0.005","90","","90","","90","","2005","0.8","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ge0.67 Nb1.11 O4.56 Rb0.89 -","- Ge0.666667 Nb1.11111 O4.55556 Rb0.888889 -","- Ge12 Nb20 O82 Rb16 -","18","2.25","","Chai, Jing; She, Yuheng; Jiao, Jinmiao; Li, Lili; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","Rb<sub>8</sub>Nb<sub>10</sub>Ge<sub>6</sub>O<sub>41</sub>: a new niobium-germanate crystal featuring unique one-dimensional [Nb<sub>7</sub>O<sub>30</sub>]<sub>∞</sub> chains and wide mid-IR transparency.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2696","2702","10.1039/d3dt04267g","","","0.71073","MoKα","","0.1215","0.062","","","0.1351","0.1672","","","","","","1.009","","","","has coordinates","290180","2024-03-04","20:18:06",""
"7715023","18.9926","0.0008","19.3476","0.0008","15.4933","0.0006","90","","90","","90","","5693.2","0.4","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Cr Mo6 N16 O38 Zn2 -","- C16 H40 Cr Mo6 N16 O38 Zn2 -","- C64 H160 Cr4 Mo24 N64 O152 Zn8 -","4","0.5","","Liang, Ju-Ju; Lin, Yu-Chun; Chang, Zhi-Han; Wang, Xiuli","Improved capacitive performances and electrocatalytic reduction activity by regulating the bonding interaction between Zn-bistriazole-pyrazine/pyridine units and diverse Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3020","3026","10.1039/d3dt04195f","","x-ray","0.71073","MoKα","K-L~3~","0.0381","0.031","","","0.0752","0.0815","","","","","","1.091","","","","has coordinates","290201","2024-03-04","20:22:56",""
"7715220","18.2256","0.0002","15.8811","0.0001","20.8977","0.0002","90","","90","","90","","6048.68","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H76 B2 N16 Ni -","- C56 H76 B2 N16 Ni -","- C224 H304 B8 N64 Ni4 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0747","0.0707","","","0.1886","0.1921","","","","","","1.047","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715434","33.0522","0.0015","11.2332","0.0006","8.4733","0.0004","90","","90","","90","","3146","0.3","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 B F13 O3 S -","- C13 B F13 O3 S -","- C104 B8 F104 O24 S8 -","8","1","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.035","0.0324","","","0.0861","0.0881","","","","","","1.05","","","","has coordinates","291606","2024-05-05","02:36:46",""
"7715785","12.7752","0.0008","10.7048","0.0007","24.3576","0.0016","90","","90","","90","","3331","0.4","220","2","220","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H28 F2 Fe N12 O2 -","- C34 H28 F2 Fe N12 O2 -","- C136 H112 F8 Fe4 N48 O8 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio","Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8041","8049","10.1039/d4dt00368c","","","0.71073","MoKα","","0.1149","0.0703","","","0.1626","0.1929","","","","","","1.105","","","","has coordinates","293102","2024-07-05","16:39:45",""
"7715786","13.05","0.02","10.401","0.018","25.06","0.04","90","","90","","90","","3401","10","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H28 F2 Fe N12 O2 -","- C34 H28 F2 Fe N12 O2 -","- C136 H112 F8 Fe4 N48 O8 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio","Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8041","8049","10.1039/d4dt00368c","","","0.71073","MoKα","","0.152","0.0624","","","0.1477","0.2283","","","","","","1.085","","","","has coordinates,has disorder","293102","2024-07-05","16:39:45",""
"7715923","24.4713","0.0008","11.0368","0.0004","15.9675","0.0005","90","","90","","90","","4312.6","0.3","100","","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C38 H22 Cl6 F6 N2 O6 Pd2 S2 -","- C36 H18 Cl2 F6 N2 O6 Pd2 S2 -","- C144 H72 Cl8 F24 N8 O24 Pd8 S8 -","4","0.5","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0331","0.0293","","","0.0763","0.0782","","","","","","1.09","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715925","22.7038","0.0008","11.4463","0.0005","16.6779","0.0007","90","","90","","90","","4334.2","0.3","100","","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C38 H20 Cl6 F8 N2 O6 Pd2 S2 -","- C38 H20 Cl6 F8 N2 O6 Pd2 S2 -","- C152 H80 Cl24 F32 N8 O24 Pd8 S8 -","4","0.5","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0242","0.0235","","","0.058","0.0586","","","","","","1.038","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715941","18.7879","0.0007","8.8858","0.0003","13.675","0.0005","90","","90","","90","","2282.98","0.14","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H16 N6 Ni O2 S2 -","- C26 H16 N6 Ni O2 S2 -","- C104 H64 N24 Ni4 O8 S8 -","4","0.5","","Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghenadie; Avarvari, Narcis","Six-coordinated nickel(II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8835","8842","10.1039/d4dt01143k","","","1.54184","CuKα","","0.0356","0.0328","","","0.0877","0.0914","","","","","","1.069","","","","has coordinates","293083","2024-07-05","16:33:49",""
"7716041","13.8322","0.0007","11.7938","0.0006","15.1516","0.0007","90","","90","","90","","2471.7","0.2","295","2","295","2","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C112 H80 Br16 -","8","1","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0998","0.0445","","","0.085","0.101","","","","","","0.999","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716168","19.0594","0.0005","10.4533","0.0003","16.3019","0.0004","90","","90","","90","","3247.89","0.15","293","0.1","293","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17 H13 Cl N2 O Pd S -","- C17 H13 Cl N2 O Pd S -","- C136 H104 Cl8 N16 O8 Pd8 S8 -","8","1","","Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika","Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9798","9811","10.1039/d4dt00282b","","x-ray","0.71073","MoKα","","0.0695","0.061","","","0.1759","0.1822","","","","","","1.076","","","","has coordinates","293120","2024-07-05","16:46:51",""
"7716184","20.6268","0.0007","16.0836","0.0006","18.5709","0.0006","90","","90","","90","","6161","0.4","250","","250","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C264 H312 N16 Zn4 -","- C264 H312 N16 Zn4 -","- C264 H312 N16 Zn4 -","1","0.125","","Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando","Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10050","10054","10.1039/d4dt01265h","","","0.71073","MoKα","","0.1392","0.0805","","","0.2314","0.2956","","","","","","1.049","","","","has coordinates,has disorder","292995","2024-07-05","15:51:35",""
"7716208","14.9806","0.0006","15.561","0.0006","17.7708","0.0007","90","","90","","90","","4142.6","0.3","230","0.1","230","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H25 Cl2 Fe N15 O8 S5 -","- C30 H25 Cl2 Fe N15 O8 S5 -","- C120 H100 Cl8 Fe4 N60 O32 S20 -","4","0.5","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0623","0.0456","","","0.1108","0.1183","","","","","","1.072","","","","has coordinates,has disorder","293080","2024-07-05","16:32:45",""
"7716210","15.02","0.0009","15.627","0.0011","17.7918","0.0012","90","","90","","90","","4176","0.5","298","1","298","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H25 Cl2 Fe N15 O8 S5 -","- C30 H25 Cl2 Fe N15 O8 S5 -","- C120 H100 Cl8 Fe4 N60 O32 S20 -","4","0.5","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0959","0.0433","","","0.1098","0.1306","","","","","","1.019","","","","has coordinates,has disorder","293080","2024-07-05","16:32:45",""
"7716377","7.9497","0.0003","11.5685","0.0005","22.2132","0.0009","90","","90","","90","","2042.86","0.14","150","2","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H32 N2 S2 Zn -","- C16 H32 N2 S2 Zn -","- C64 H128 N8 S8 Zn4 -","4","0.5","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.039","0.0317","","","0.0635","0.0662","","","","","","1.092","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716657","30.7337","0.0006","12.0988","0.0002","17.2692","0.0002","90","","90","","90","","6421.39","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H39 Co2 F3 N4 O2 -","- C32 H39 Co2 F3 N4 O2 -","- C256 H312 Co16 F24 N32 O16 -","8","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0563","0.0438","","","0.1083","0.1148","","","","","","1.041","","","","has coordinates","294578","2024-09-06","00:55:45",""
"7716715","22.9095","0.0008","12.4317","0.0006","12.1295","0.0006","90","","90","","90","","3454.5","0.3","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C96 H136 B8 Br8 F32 N32 O8 Zn4 -","4","0.5","","Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja","Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13436","13453","10.1039/d4dt01353k","","","0.71073","MoKα","","0.058","0.0407","","","0.0844","0.0916","","","","","","1.049","","","","has coordinates","294539","2024-09-06","00:38:25",""
"7716837","12.2049","0.0002","14.8651","0.0003","7.6069","0.0001","90","","90","","90","","1380.1","0.04","100","2","100.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","4-aminopyridinium iodobismuthate","","","- C5 H6 Bi I4 N2 -","- C5 H6 Bi I4 N2 -","- C20 H24 Bi4 I16 N8 -","4","0.5","","Abdi, Gisya; Mazur, Tomasz; Kowalewska, Ewelina; Sławek, Andrzej; Marzec, Mateusz; Szaciłowski, Konrad","Memristive properties and synaptic plasticity in substituted pyridinium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14610","14622","10.1039/d4dt01946f","","x-ray","0.71073","MoKα","","0.0244","0.0202","","","0.0431","0.044","","","","","","1.08","","","","has coordinates","295271","2024-10-06","08:09:02",""
"7716846","24.306","0.008","8.269","0.003","21.095","0.01","90","","90","","90","","4240","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H34 Mn N12 O4 Zn2 -","- C42 H34 Mn N12 O4 Zn2 -","- C168 H136 Mn4 N48 O16 Zn8 -","4","0.5","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.71073","MoKα","","0.1177","0.0597","","","0.1117","0.1323","","","","","","1.042","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7716848","24.344","0.006","8.2169","0.0018","21.057","0.006","90","","90","","90","","4212.1","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C41.49 H34 Cl0.51 Mn N11.49 O4 Zn2 -","- C41.488 H34 Cl0.512 Mn N11.488 O4 Zn2 -","- C165.952 H136 Cl2.048 Mn4 N45.952 O16 Zn8 -","4","0.5","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.7107","MoKα","","0.0666","0.0464","","","0.0926","0.0998","","","","","","1.104","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7717094","15.898","0.003","22.527","0.005","13.676","0.003","90","","90","","90","","4897.8","1.8","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H22 Cl F3 N3 O5 Rh S -","- C21 H22 Cl F3 N3 O5 Rh S -","- C168 H176 Cl8 F24 N24 O40 Rh8 S8 -","8","1","","Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.","Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16956","16965","10.1039/d4dt01766h","","x-ray","0.71073","MoKα","","0.0935","0.0772","","","0.1486","0.1534","","","","","","1.38","","","","has coordinates,has disorder","296514","2024-12-06","18:22:57",""
"7717206","19.498","0.004","17.355","0.003","33.032","0.006","90","","90","","90","","11178","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H48 Cu4 N14 O17 -","- C54 H44 Cu4 N14 O17 -","- C432 H352 Cu32 N112 O136 -","8","1","","Paliwal, Kumudini; Swain, Abinash; Mishra, Durga Prasad; Sudhadevi Antharjanam, P. K.; Kumar, Manjuri","A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17702","17720","10.1039/d4dt01914h","","","0.71073","MoKα","","0.1696","0.123","","","0.2043","0.2259","","","","","","1.158","","","","has coordinates,has disorder","296515","2024-12-06","18:23:38",""
"7717254","21.2465","0.0018","9.7088","0.0005","22.0761","0.0013","90","","90","","90","","4553.8","0.5","223","","223","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H48 N3 O40 V7 -","- C12 H48 N3 O40 V7 -","- C48 H192 N12 O160 V28 -","4","0.5","","Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui","Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18711","18719","10.1039/d4dt02370f","","x-ray","1.54184","CuKα","","0.1067","0.0961","","","0.2678","0.2907","","","","","","1.164","","","","has coordinates","296567","2024-12-06","18:52:54",""
"7717300","61.1639","0.0003","15.5496","0.0001","18.6563","0.0001","90","","90","","90","","17743.5","0.17","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[(THF)2(CAACH)Be(OCP)], 3","","- C29 H48 Be N O3 P -","- C29 H48 Be N O3 P -","- C696 H1152 Be24 N24 O72 P24 -","24","3","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0498","0.0463","","","0.1227","0.1252","","","","","","1.042","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717349","21.3386","0.0003","10.7908","0.0002","20.246","0.0003","90","","90","","90","","4661.86","0.13","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H32 B18 Co N3 -","- C10 H32 B18 Co N3 -","- C80 H256 B144 Co8 N24 -","8","1","","Tüzün, Ece Zeynep; Hnyk, Drahomír; Bavol, Dmytro; Litecká, Miroslava; Fanfrlík, Jindřich; Grűner, Bohumír","Modification of cobalt bis(dicarbollide) ions with nitrile groups on carbon atoms: a unique low-temperature skeletal rearrangement due to the specific electron-donor character of CN substitution.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18462","18466","10.1039/d4dt02588a","","x-ray","1.54184","CuKα","","0.0463","0.0438","","","0.1264","0.1283","","","","","","1.066","","","","has coordinates","296564","2024-12-06","18:52:02",""
"7717488","9.8631","0.0004","20.3925","0.0011","28.0508","0.0014","90","","90","","90","","5641.9","0.5","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H36 P2 -","- C33 H36 P2 -","- C264 H288 P16 -","8","1","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.188","0.0998","","","0.1532","0.1932","","","","","","1.209","","","","has coordinates,has disorder","295908","2024-11-13","23:49:53",""
"8000066","34.053","0.002","9.5678","0.0006","17.046","0.0011","90","","90","","90","","5553.8","0.6","300","","300","","","","","","","","","5","P b c n","-P 2n 2ab","60","phenanthroline Pr complex","[Pr(phen)(DMF)2(NO3)3]","","- C19.5 H25.5 N7.5 O11.5 Pr -","- C19.5 H25.5 N7.5 O11.5 Pr -","- C156 H204 N60 O92 Pr8 -","8","1","","Miki Hasegawa; Ayumi Ishii; Tomoko Yamazaki; Shinobu Kishi; Iwao Yamazaki","Intramolecular Excited Energy Transfer from Phenanthroline Fluorophore to Pr(III) in a Metal Complex","Chemistry Letters","2005","34","10","1418","","10.1246/cl.2005.1418","","x-ray","0.71073","MoKα","","0.0425","0.0284","","","0.0607","0.066","","","","","","1.032","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000528","11.90232","0.00004","18.92658","0.00007","18.74628","0.00008","90","","90","","90","","4222.98","0.03","249.97","0.1","249.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H38 Br4 Mn P2 -","- C44 H38 Br4 Mn P2 -","- C176 H152 Br16 Mn4 P8 -","4","0.5","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.028","0.0271","","","0.0679","0.0685","","","","","","1.085","","","","has coordinates","267835","2021-07-31","00:00:12",""
"8100177","11.9055","0.0012","11.7507","0.0011","10.0615","0.001","90","","90","","90","","1407.6","0.2","294","","294","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H16 Au Cl N4 S2 -","- C8 H16 Au Cl N4 S2 -","- C32 H64 Au4 Cl4 N16 S8 -","4","0.5","","Fettouhi, Mohammed; Isab, Anvarhusein A.; Wazeer, Mohamed I. M.","Crystal structure of bis(3,4,5,6-tetrahydropyrimidine-2(1H)-thione- S)gold(I) chloride, [Au(C~4~H~8~N~2~S)~2~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","391","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100701","12.182","0.002","8.7063","0.0013","16.622","0.003","90","","90","","90","","1763","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H10 F6 O2 S2 -","- C17 H10 F6 O2 S2 -","- C68 H40 F24 O8 S8 -","4","0.5","","Pu, Shou-Zhi; Sun, Fan; Yuan, Peng; Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Chan, Shek-Kiu","Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl) perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic diarylethene","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","415","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100703","8.7678","0.0006","11.2927","0.0007","11.1746","0.0007","90","","90","","90","","1106.42","0.12","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H8 Br4 O2 Sn -","- C4 H8 Br4 O2 Sn -","- C16 H32 Br16 O8 Sn4 -","4","0.5","","Bauer, Matthew; Kouvetakis, John; Groy, Thomas L.","Crystal structure of tin tetrabromodioxane, SnBr~4~ · (C~4~H~8~O~2~), a one dimensional polymer of Sn(IV)","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","421","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100751","16.006","0.009","5.308","0.004","12.766","0.005","90","0.01","90","0.01","90","0.01","1084.6","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Ye, Ming-De; Hu, Mao-Lin; Yuan, Ji-Xin; Wang, Shun","Crystal structure of 2,2'-bipyridine-1,1'-dioxide dihydrate, C~10~H~8~N~2~O~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","497","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100823","14.566","0.004","14.844","0.01","16.311","0.002","90","","90","","90","","3526.7","1.8","296.2","","296.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- H36 O42 P8 Zn4 -","- H36 O41 P8 Zn4 -","- H144 O164 P32 Zn16 -","4","0.5","","Mrad, Mohamed L'ahbib; Ben Slimane, Amel; Rzaigui, Mohamed","Crystal structure of hydrated tetrazinc cyclo-octaphosphate, Zn~4~ [P~8~O~24~] ·~ ~18H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","481","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101024","21.006","0.004","14.558","0.003","6.9119","0.0004","90","","90","","90","","2113.7","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,6-diacetylpyridine-bis-(acetylhydrazone) copper(II)","","","- C13 H23 Cu N7 O11 -","- C13 H23 Cu N7 O11 -","- C52 H92 Cu4 N28 O44 -","4","0.5","","Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Tamboura, Farba; Barry, Aliou H.; Jouini, Tahar","Crystal structure of diaqua-2,6-diacetylpyridine-bis(acetylhydrazone) copper(II) complex dinitrate hydrate, [Cu(C~13~H~17~N~5~O~2~)(H~2~O) ~2~](NO~3~)~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","421","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41",""
"8101079","9.865","0.008","10.491","0.004","15.775","0.004","90","","90","","90","","1633","1","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H8 O2 Se -","- C8 H8 O2 Se -","- C64 H64 O16 Se8 -","8","1","","Ward, A. D.; Ward, V. A.; Tiekink, E. R. T.","Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","553","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101189","14.315","0.009","8.107","0.007","19.888","0.005","90","","90","","90","","2308","2","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H24 Br4 Te2 -","- C19 H24 Br4 Te2 -","- C76 H96 Br16 Te8 -","4","0.5","","Dakternieks, D.; O'Connell, J.; Tiekink, E. R. T.","Crystal structure of dibromo[(1,1-dibromo-1-mesityl-l4-telluranyl) methyl]-mesityl-l4-tellurane, [MesTeBr~2~]~2~CH~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","87","88","","","","","","","","0.051","","","0.043","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101295","8.36","0.001","15.794","0.001","23.949","0.001","90","","90","","90","","3162.2","0.7","298","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 Cl N2 O S -","- C18 H15 Cl N2 O S -","- C144 H120 Cl8 N16 O8 S8 -","8","1","","Hanoun, J.-P.; Boyer, G.; Galy, J.-P.","Crystal structure of 6-butyl-2-chlorothiazolo[5,4-a]acridin-11(6H)- one, C~18~H~15~ClN~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","455","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101324","16.0515","0.0016","11.5227","0.0011","8.2362","0.0008","90","","90","","90","","1523.3","0.3","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H12 S3 -","- C18 H3 S3 -","- C72 H12 S12 -","4","0.5","","Choi, Moon-Gun; Chang, Hong-Young; Guzei, Ilia A.","Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","491","492","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8101495","12.305","0.001","15.55","0.002","18.066","0.002","90","","90","","90","","3456.7","0.6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H18 Cl2 N2 Sn -","- C15 H18 Cl2 N2 Sn -","- C120 H144 Cl16 N16 Sn8 -","8","1","","Basu Baul, S. S.; Basu Baul, T. S.; Tiekink, E. R. T.","Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-3-toluidine]tin, C15H18Cl2N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","207","208","","","","","","","","0.0394","","","0.0387","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101502","23.001","0.005","7.763","0.002","10.424","0.002","90","","90","","90","","1861.3","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","potassium sulfanilate 1.5 hydrate","","","- C6 H9 K N O4.5 S -","- C6 H9 K N O4.5 S -","- C48 H72 K8 N8 O36 S8 -","8","1","","Schreuer, Jürgen","Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","287","288","","","","","","","","0.0303","","","0.0776","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101503","23.271","0.005","7.844","0.002","10.635","0.002","90","","90","","90","","1941.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","rubidium sulfanilate sesquihydrate","","","- C6 H9 N O4.5 Rb S -","- C6 H9 N O4.5 Rb S -","- C48 H72 N8 O36 Rb8 S8 -","8","1","","Schreuer, Jürgen","Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 · 1.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","289","290","","","","","","","","0.0244","","","0.0496","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101696","24.714","0.005","7.3303","0.0014","11.98","0.002","90","","90","","90","","2170.3","0.7","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N-4-Nitrophenyl phosphoramidic acid dimethyl ester","","- C8 H11 N2 O5 P -","- C8 H11 N2 O5 P -","- C64 H88 N16 O40 P8 -","8","1","","K. Gholivand; Z. Shariatinia; M. Pourayoubi","Refinement of the crystal structure of N-4-nitrophenylphosphoramidic acid dimethyl ester, (CH~3~O)~2~PONHC~6~H~4~NO~2~, at 120 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","65","66","","","","0.71073","MoKα","","0.0705","0.0537","","","0.1224","0.1284","","","","","","0.984","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101706","7.246","0.002","9.134","0.002","30.518","0.003","90","","90","","90","","2019.8","0.7","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H11 Cl N O4 P -","- C7 H11 Cl N O4 P -","- C56 H88 Cl8 N8 O32 P8 -","8","1","","H. Dhaouadi; H. Marouani; M. Rzaigui","Crystal structure of 4-chlorobenzylammonium dihydrogenmonophosphate, (ClC~7~H~6~NH~3~)~H2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","135","136","","","","0.5608","AgKα","","0.0586","0.059","","0.078","","0.078","","","1.96","","","1.96","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101832","7.2663","0.0007","18.6061","0.0018","24.01","0.002","90","","90","","90","","3246.1","0.5","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato](1,10-phenanthroline)cadmium(II)","","- C32 H32 Cd N4 O2 S4 -","- C32 H32 Cd N4 O2 S4 -","- C128 H128 Cd4 N16 O8 S16 -","4","0.5","","M. Saravanan; R. Ramalingam; B. Arulprakasam; G. Bocelli; A. Cantoni; E. R. T. Tiekink","Crystal structure of bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato] (1,10-phenanthroline)cadmium(II), Cd[S~2~CN(C~7~H~7~)(C~2~H~2~OH)] ~2~(C~12~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","477","478","","","","0.71069","MoKα","","0.036","0.029","","","0.064","0.066","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101880","15.7141","0.0005","12.8573","0.0004","15.7388","0.0005","90","","90","","90","","3179.88","0.17","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","BaCp*2Py3","bis(pentamethylcyclopentadienyl)tri(pyridine)barium","","- C35 H45 Ba N3 -","- C35 H45 Ba N3 -","- C140 H180 Ba4 N12 -","4","0.5","","Fichtel, K.; Behrens, U.","Crystal structure of bis(pentamethylcyclopentadienyl)tri(pyridine) barium, Ba(C~5~H~5~N)~3~(C~10~H~15~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","609","610","","","","0.71073","MoKα","","0.0257","0.0195","","","0.0562","0.0578","","","","","","1.068","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101997","10.9322","0.0011","11.86","0.0012","17.996","0.0018","90","","90","","90","","2333.3","0.4","292","2","292","2","","","","","","","","3","P b c n","-P 2n 2ab","60","chalcone","(E)-1,3-diphenyl-2-propen-1-one","","- C15 H12 O -","- C15 H12 O -","- C120 H96 O8 -","8","1","","Wu, M.-H.; Yang, X.-H.; Zou, W.-D.; Liu, W.-J.; Li, C.","Refinement of the crystal structure of (E)-1,3-diphenyl-2-propen-1- one, C~15~H~12~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","323","324","","","","0.71073","MoKα","","0.101","0.0625","","","0.1622","0.1826","","","","","","1.09","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102097","9.553","0.001","12.26","0.002","36.798","0.004","90","","90","","90","","4309.8","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","hexaaquanickel(II) bis(bis(((1-(2-hydroxyphenyl)methylidene)amino)acetato)nickel(II)) dihydrate","hexaaquanickel(II) bis(bis(N-salicylideneglycinato-O,O')nickelate(II)) dihydrate","","- C36 H44 N4 Ni3 O20 -","- C36 H44 N4 Ni3 O20 -","- C144 H176 N16 Ni12 O80 -","4","0.5","","Li, L.-Z.; Wang, L.-H.","Crystal structure of hexaaquanickel(II) bis(bis(N-salicylideneglycinato- O,O')nickelate(II)) dihydrate, [Ni(H~2~O)~6~][Ni(C~9~H~7~NO~3~)~2~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","119","121","","","","0.71073","MoKα","","0.0909","0.0594","","","0.1295","0.1442","","","","","","1.055","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102207","12.4741","0.0002","11.1481","0.0002","16.3617","0.0003","90","","90","","90","","2275.3","0.07","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5-dimethyl-1-(4-carboxy-phenyl)pyrrole","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Manuela Ramos Silva; Joana A. Silva; Ana M. Urbano; Ana C. Santos; Abilío J. F. N. Sobral; Ana Matos Beja; José A. Paixão","Crystal structure of 2,5-dimethyl-1-(4-carboxy-phenyl)pyrrole, C13H13NO2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","33","","","","","0.71073","MoKα","","0.0709","0.0487","","","0.1375","0.1584","","","","","","1.018","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102319","14.7427","0.0014","18.8971","0.0018","11.8151","0.0018","90","","90","","90","","3291.6","0.7","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 N2 O10 S4 -","- C32 H30 N2 O10 S4 -","- C128 H120 N8 O40 S16 -","4","0.5","","Xiao-Jun Hu; Xiao Liu; Pin Zhang; Tie-Heng Sun","Crystal structure of 5,17-dinitro-25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene - tetrahydrofuran (1:2), C24H14N2O8S4 · 2C4H8O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","393","","","","","0.71073","MoKα","","0.0838","0.0508","","","0.1179","0.1484","","","","","","1.021","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102463","18.1415","0.0016","9.1274","0.0008","20.0652","0.0019","90","","90","","90","","3322.5","0.5","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,6-bis(<i>N</i>-methylbenzimidazol-2-yl)pyridine","","- C21 H17 N5 -","- C21 H17 N5 -","- C168 H136 N40 -","8","1","","Huilu Wu; Xingcai Huang; Jingkun Yuan; Jian Ding; Ruirui Yun","Refinement of crystal structure of 2,6-bis(N-methylbenzimidazol-2-yl)pyridine at 153 K, C21H17N5","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","419","","","","","0.71073","MoKα","","0.0378","0.0343","","","0.0925","0.095","","","","","","1.045","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102575","23.483","0.005","10.522","0.002","13.767","0.003","90","","90","","90","","3401.7","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","diaquabis(2-fluorobenzoato-κO,)bis (1,10-phenanthroline-κ^2^N,N')barium(II),[Ba(C~7~H~4~FO~2~)~2~ (C~12~H~8~N~2~)~2~(H~2~O)~2~]","","- C38 H28 Ba F2 N4 O6 -","- C38 H28 Ba F2 N4 O6 -","- C152 H112 Ba4 F8 N16 O24 -","4","0.5","","Bi-Song Zhang","Crystal structure of diaquabis(2-fluorobenzoato-kO)-bis(1,10-phenanthroline-k2N,N')barium(II), Ba(H2O)2(C7H4FO2)2(C12H8N2)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","87","","","","","0.71073","MoKα","","0.085","0.0649","","","0.1416","0.1543","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"8102839","24.4566","0.0013","9.1868","0.0005","15.8353","0.0009","90","","90","","90","","3557.8","0.3","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Acridine(dimethyl sulfoxide-κ<i>S</i>)diiodoplatinum(II)","","- C15 H15 I2 N O Pt S -","- C15 H15 I2 N O Pt S -","- C120 H120 I16 N8 O8 Pt8 S8 -","8","1","","Kwang Ha","Crystal structure of acridine(dimethyl sulfoxide-kS)diiodoplatinum(II), PtI2(C13H9N)(C2H6OS)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","657","","","","","0.71073","MoKα","","0.0868","0.0408","","","0.0707","0.0923","","","","","","1.047","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102874","11.9623","0.0012","14.1791","0.0014","6.9203","0.0007","90","","90","","90","","1173.8","0.2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(Bis(2-pyridyl)imido)chloropalladium(II)","","- C12 H8 Cl N3 O2 Pd -","- C12 H8 Cl N3 O2 Pd -","- C48 H32 Cl4 N12 O8 Pd4 -","4","0.5","","Kwang Ha","Crystal structure of (bis(2-pyridyl)imido)chloropalladium(II), PdCl(C12H8N3O2)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","789","","","","","0.71073","MoKα","","0.0386","0.0238","","","0.0598","0.0703","","","","","","1.068","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102978","11.9771","0.0005","8.7826","0.0004","17.5237","0.0007","90","","90","","90","","1843.32","0.14","293","1","293","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","alpha antimony dimercury tetrachloroaluminate","","- Al Cl4 Hg2 Sb -","- Al Cl4 Hg2 Sb -","- Al8 Cl32 Hg16 Sb8 -","8","1","","Schlirf, Jens; Deiseroth, Hans-Jörg","Crystal structures of α-and β-antimony dimercury tetrachloroaluminate, SbHg~2~AlCl~4~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","367","368","","","x-ray","0.71073","MoKα","","0.0566","0.0429","","","0.0929","0.0977","","","","","","1.103","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103351","12.3759","0.0015","9.249","0.0012","22.827","0.003","90","","90","","90","","2612.9","0.6","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H28 Cl4 Mn N4 O3 -","- C22 H28 Cl4 Mn N4 O3 -","- C88 H112 Cl16 Mn4 N16 O12 -","4","0.5","","Limei Wang; Xifeng Zhang; Wanyong Zeng; Zhiguo Liu; Lieju Liu","Crystal structure of bis(3,5-dichloro-N-2-(dimethylamino)ethylsalicylaldiminato-k3N,N',O)manganese(II) monohydrate, Mn(C11H13Cl2N2O)2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","261","","","","","0.71073","MoKα","","0.0472","0.0357","","","0.1042","0.1116","","","","","","1.008","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103679","14.0217","","5.6752","","5.015","","90","","90","","90","","399.073","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ni Nb2 O6","","- Nb2 Ni O6 -","- Nb2 Ni O6 -","- Nb8 Ni4 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103680","14.1475","","5.712","","5.0446","","90","","90","","90","","407.657","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Co Nb2 O6 -","- Co Nb2 O6 -","- Co4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103681","14.2448","","5.7276","","5.0421","","90","","90","","90","","411.377","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103682","14.4236","","5.7609","","5.0839","","90","","90","","90","","422.436","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Mn Nb2 O6 -","- Mn Nb2 O6 -","- Mn4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103683","14.4219","","5.7513","","5.0816","","90","","90","","90","","421.492","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mn Ta2 O6","","- Mn O6 Ta2 -","- Mn O6 Ta2 -","- Mn4 O24 Ta8 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103938","11.484","","8.719","","13.871","","90","","90","","90","","1388.89","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Li (B3 P O6 (O H)3)","","- B3 H3 Li O9 P -","- B3 H3 Li O9 P -","- B24 H24 Li8 O72 P8 -","8","1","","Hauf, C.; Kniep, R.","Crystal Structure of lithium catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P O6 (O H)3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103977","6.188","","15.543","","6.367","","90","","90","","90","","612.379","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Na (Cl2 (Sc Cl2))","","- Cl4 Na Sc -","- Cl4 Na Sc -","- Cl16 Na4 Sc4 -","4","0.5","","Bohnsack, A.; Meyer, G.; Wickleder, M.S.","Crystal structure of sodium tetrachloroscandate, Na Sc Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","394","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104166","6.1317","","11.968","","24.231","","90","","90","","90","","1778.17","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Pt (H2 O)3 Cl3 ) Cl (H2 O)0.5","","- Cl4 H7 O3.5 Pt -","- Cl4 O3.5 Pt -","- Cl32 O28 Pt8 -","8","1","","Rau, F.; Klement, U.; Range, K.J.","Crystal structure of fac-triaquatrichloroplatinum(IV)chloride hemihydrate, (Pt (H2 O)3 Cl3) Cl (H2 O)0.5","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","605","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104440","10.396","","8.06","","7.965","","90","","90","","90","","667.401","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Cr F3 (H2 O)5","","- Cr F3 H10 O5 -","- Cr F3 O5 -","- Cr4 F12 O20 -","4","0.5","","Herbstein, F.H.; Kapon, M.; Reisner, G.M.","Crystal structures of chromium(III) fluoride trihydrate and chromium(III) fluoride pentahydrate. Structural chemistry of hydrated transition metal fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate","Zeitschrift fuer Kristallographie (149,1979-)","1985","171","","209","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104486","9.304","","8.902","","5.351","","90","","90","","90","","443.192","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mg1.04 (Si O3)","","- Mg1.04 O3 Si -","- Mg1.0355 O3 Si -","- Mg8.284 O24 Si8 -","8","1","","Smyth, J.R.","Protoenstatite. A crystal-structure refinement at 1100 C","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","134","","262","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104506","9.349","","8.929","","5.361","","90","","90","","90","","447.521","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Murakami, T.; Takeuchi, Y.; Yamanaka, T.","X-ray studies on protoenstatite II. Effect of temperature on the structure up to near the incongruent melting point","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104654","20.171","0.007","9.684","0.003","10.372","0.004","90","","90","","90","","2026","1.2","273","2","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu N2 O4 S2 -","- C22 H14 Cu N2 O4 S2 -","- C88 H56 Cu4 N8 O16 S8 -","4","0.5","","Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan","Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1019","1020","10.1515/ncrs-2021-0199","","","0.71073","MoKα","","0.0388","0.0334","","","0.0875","0.0908","","","","","","1.072","","","","has coordinates,has disorder","273482","2022-03-07","08:37:06",""
"8104680","17.885","0.003","15.647","0.002","16.189","0.002","90","","90","","90","","4530.4","1.1","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C56 H42 N8 O -","- C56 H42 N8 O -","- C224 H168 N32 O4 -","4","0.5","","Li, Yi-Da; Song, Zhi-Qiang; Yue, Zhi-Wei; Zhong, Qi-Di; Qi, Ya-Juan","Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1113","1114","10.1515/ncrs-2021-0241","","","0.71073","MoKα","","0.0925","0.0464","","","0.0999","0.1219","","","","","","0.999","","","","has coordinates","273523","2022-03-08","09:12:41",""
"8104821","17.7552","0.0012","10.7574","0.0009","8.0207","0.0007","90","","90","","90","","1532","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","<i>para</i>-trifluoromethyl-aniline hemihydrate","<i>para</i>-trifluoromethyl-aniline hemihydrate","","- C14 H14 F6 N2 O -","- C14 H14 F6 N2 O -","- C56 H56 F24 N8 O4 -","4","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","329","331","10.1515/ncrs-2020-0512","","","0.71073","MoKα","","0.0688","0.0415","","","0.0997","0.1154","","","","","","1.016","","","","has coordinates,has disorder","273869","2022-03-21","09:49:41",""
"8104880","29.554","0.004","7.493","0.0011","8.28","0.001","90","","90","","90","","1833.6","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","DL-α-(Methylaminomethyl)benzyl alcohol","DL-α-(Methylaminomethyl)benzyl alcohol","","- C9 H13 N O -","- C9 H13 N O -","- C72 H104 N8 O8 -","8","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","51","53","10.1515/ncrs-2020-0433","","","0.71069","MoKα","","0.0994","0.0737","","","0.1542","0.1646","","","","","","1.117","","","","has coordinates","273995","2022-03-25","10:18:04",""
"8105033","24.3935","0.0003","11.4505","0.0001","11.7004","0.0001","90","","90","","90","","3268.13","0.06","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br8 Co N2 O10 -","- C26 H14 Br8 Co N2 O10 -","- C104 H56 Br32 Co4 N8 O40 -","4","0.5","","Li, Yong-Shuang; Luo, Jia-Yang; He, Man-Qiu; Han, Min-Le","Crystal structure of catena-poly[diaqua-bis(3,4,5,6-tetrabromo-carboxybenzoato-κ1O)-(μ2-4,4′-bipyridine-κ2N:N′)cobalt(II)], C26H14Br8CoN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","113","115","10.1515/ncrs-2019-0527","","x-ray","1.54184","CuKα","","0.0338","0.0313","","","0.0805","0.0819","","","","","","1.065","","","","has coordinates","274345","2022-04-05","09:06:50",""
"8105145","11.737","0.01","9.309","0.008","23.72","0.02","90","","90","","90","","2592","4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cl2 N8 Ni O2 -","- C26 H20 Cl2 N8 Ni O2 -","- C104 H80 Cl8 N32 Ni4 O8 -","4","0.5","","Hao, Zhen-Li; Huang, Cun-Han","Crystal structure of bis(3-chloro-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-k3 N,N′,O)nickel(II), C26H20N8O2Cl2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","477","478","10.1515/ncrs-2019-0778","","","0.71073","MoKα","","0.0668","0.0361","","","0.0788","0.0934","","","","","","1.046","","","","has coordinates","274911","2022-05-05","07:45:33",""
"8105164","24.174","0.0004","11.3727","0.0002","11.7918","0.0002","90","","90","","90","","3241.84","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br8 N2 Ni O10 -","- C26 H14 Br8 N2 Ni O10 -","- C104 H56 Br32 N8 Ni4 O40 -","4","0.5","","Li, Yong-Shuang; Han, Min-Le","Crystal structure of catena-poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-bis(2,3,4,5-tetrabromo-6-carboxybenzoato-κ1 O)-nickel(II)], C26H14Br8NiN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","539","540","10.1515/ncrs-2019-0766","","x-ray","1.54184","CuKα","","0.032","0.03","","","0.0788","0.0804","","","","","","1.052","","","","has coordinates","275097","2022-05-06","08:38:08",""
"8105237","19.6175","0.0012","7.2887","0.0005","9.3499","0.0006","90","","90","","90","","1336.91","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide)-diaqua zinc","","- C6 H12 N10 O6 Zn -","- C6 H12 N10 O6 Zn -","- C24 H48 N40 O24 Zn4 -","4","0.5","","Wang, Hui; Xiao, Zi-Jing","The crystal structure of bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide κ2 O,O′)-diaqua-zinc(II), C6H12ZnN10O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","617","619","10.1515/ncrs-2019-0856","","","0.71073","MoKα","","0.0367","0.0276","","","0.0605","0.064","","","","","","1.113","","","","has coordinates","275392","2022-05-13","07:28:59",""
"8105306","13.7804","0.0005","10.311","0.0005","16.4118","0.0006","90","","90","","90","","2331.95","0.16","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","tris(~2~-Oxo)-bis(1'10-phenanthroline)-tetraoxo-di-chromium(VI)- nike(II)","","- C24 H16 Cr2 N4 Ni O7 -","- C24 H16 Cr2 N4 Ni O7 -","- C96 H64 Cr8 N16 Ni4 O28 -","4","0.5","","Wu-Hua, Chen; Gui-Xiang, Xie; Qin, Chen; Yan-Ming, Ruan","The crystal structure of (dichromato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)nickel(II), C12H16N4O7Cr2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","849","850","10.1515/ncrs-2020-0053","","","0.71073","MoKα","","0.0598","0.0438","","","0.1021","0.1111","","","","","","1.114","","","","has coordinates","275547","2022-05-19","09:14:50",""
"8105378","11.675","0.009","9.884","0.008","23.225","0.017","90","","90","","90","","2680","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 N8 Ni O4 -","- C28 H26 N8 Ni O4 -","- C112 H104 N32 Ni4 O16 -","4","0.5","","Li, Li","Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′]nickel(II), C28H26N8O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1063","1064","10.1515/ncrs-2020-0170","","","0.71073","MoKα","","0.0853","0.0495","","","0.1141","0.1329","","","","","","1.021","","","","has coordinates","275957","2022-06-10","08:43:19",""
"8105463","11.6965","0.001","13.8078","0.0011","16.3257","0.0014","90","","90","","90","","2636.6","0.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H26 Cl2 O6 -","- C31 H26 Cl2 O6 -","- C124 H104 Cl8 O24 -","4","0.5","","Wu, Chong; Liu, Xiao-Long; An, Rui; Yang, Ye","Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1349","1350","10.1515/ncrs-2020-0310","","","0.71073","MoKα","","0.1014","0.0765","","","0.1384","0.1487","","","","","","1.193","","","","has coordinates","276169","2022-06-23","07:40:44",""
"8105937","20.745","0.002","6.7956","0.0008","20.47","0.003","90","","90","","90","","2885.8","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H10 Br N O2 -","- C18 H10 Br N O2 -","- C144 H80 Br8 N8 O16 -","8","1","","Maluleka, Marole M.; Mphahlele, Malose J.; Onwu, Eugene E.","Crystal structure of 8-bromo-6-oxo-2-phenyl-6H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde, C18H11BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1063","1065","10.1515/ncrs-2019-0262","","x-ray","0.71073","MoKα","","0.0438","0.034","","","0.079","0.0846","","","","","","1.114","","","","has coordinates","278704","2022-10-21","09:12:35",""
"8106309","18.781","0.007","15.749","0.006","14.081","0.005","90","","90","","90","","4165","3","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Chen, Xuanhuang; Wu, Feng; Huang, Manwei; Zheng, Jinqing; Yu, Zhengxi; Chen, Jinhui","Crystal structure of ethyl 4-(3,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","821","822","10.1515/ncrs-2018-0033","","","0.71073","MoKα","","0.1274","0.0614","","","0.161","0.1874","","","","","","0.988","","","","has coordinates","279685","2022-12-05","09:33:10",""
"8106343","17.215","0.011","15.749","0.011","14.136","0.009","90","","90","","90","","3833","4","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Cl N O3 -","- C21 H24 Cl N O3 -","- C168 H192 Cl8 N8 O24 -","8","1","","Gou, Wei; Zhou, Yan; Zhong, Wei; Wang, Yang; Yang, Bai-Yuan; Zhao, An-Rong","Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","911","912","10.1515/ncrs-2018-0094","","","0.71073","MoKα","","0.0932","0.0578","","","0.1563","0.1769","","","","","","1.076","","","","has coordinates","279735","2022-12-06","10:21:55",""
"8106402","20.179","0.012","10.902","0.007","15.026","0.009","90","","90","","90","","3306","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H21 Br N2 O2 -","- C17 H21 Br N2 O2 -","- C136 H168 Br8 N16 O16 -","8","1","","Bo, Zhao; Shilu, Zhang","The crystal structure of 9-butoxy-2-(hydroxymethyl)-2H-imidazo[1,5-a]quinolin-10-ium bromide, C17H21O2N2Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1069","1070","10.1515/ncrs-2018-0176","","","0.71073","MoKα","","0.0977","0.0465","","","0.107","0.1276","","","","","","1.018","","","","has coordinates","279905","2022-12-15","09:20:47",""
"8106482","21.1472","0.0008","9.7978","0.0004","14.5181","0.0006","90","","90","","90","","3008.1","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","El-Sayed, Nahed N.E.; Almaneai, Norah M.; Ghabbour, Hazem A.; Alafeefy, Ahmed M.","Crystal structure of (E)-2-(4-hydroxy-3-methoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","203","205","10.1515/ncrs-2016-0195","","","0.71073","MoKα","","0.0871","0.052","","","0.1045","0.1194","","","","","","1.037","","","","has coordinates","280377","2023-01-17","10:10:49",""
"8106569","12.7029","0.0006","16.0791","0.0008","7.7171","0.0004","90","","90","","90","","1576.23","0.14","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl Viologen Zinc Chloride","","- C12 H14 Cl4 N2 Zn -","- C12 H14 Cl4 N2 Zn -","- C48 H56 Cl16 N8 Zn4 -","4","0.5","","Song, Qingmei; Song, Lijun","Crystal Structure of 1,1′-dimethyl-[4,4′-bipyridine]-1,1′-diium tetrachloridozincate(II), C12H14Cl4N2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","461","462","10.1515/ncrs-2016-0317","","","0.71073","MoKα","","0.0401","0.0316","","","0.091","0.0988","","","","","","1.073","","","","has coordinates","280558","2023-01-24","10:29:41",""
"8106804","19.813","0.0012","8.1643","0.0005","14.9521","0.0009","90","","90","","90","","2418.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C112 H88 N24 S8 -","8","1","","Hijazi, Ahmed K.; Abu-Salem, Qutaiba; Ajlouni, Abdulaziz; Taha, Ziyad A.","Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","129","131","10.1515/ncrs-2015-0058","","","0.71073","MoKα","","0.0376","0.0308","","","0.0845","0.088","","","","","","1.055","","","","has coordinates","281234","2023-03-02","08:11:38",""
"8106831","22.286","0.007","22.725","0.007","14.056","0.005","90","","90","","90","","7119","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C82 H64 Co2 N12 O11 -","- C82 H62 Co2 N12 O11 -","- C328 H248 Co8 N48 O44 -","4","0.5","","Zi, Wang; Guo-Wang, Xu; Hai-Bin, Wang; Zhi-Hang, Zhou; Dong-Sheng, Li","Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2 O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","219","221","10.1515/ncrs-2015-0096","","","0.71073","MoKα","","0.085","0.0582","","","0.1445","0.1634","","","","","","1.061","","","","has coordinates","281651","2023-03-06","08:15:58",""
"8106857","9.856","0.008","6.582","0.005","18.276","0.013","90","","90","","90","","1185.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C2 H12 Mg N8 O8 -","- C2 H12 Mg N8 O8 -","- C8 H48 Mg4 N32 O32 -","4","0.5","","Xiaojun, Wang; Jin, Shaohua; Li, Lijie; Chen, Shusen; Shu, Qinghai","Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","305","306","10.1515/ncrs-2015-0155","","","0.71073","MoKα","","0.0263","0.0245","","","0.0682","0.0693","","","","","","1.093","","","","has coordinates","281692","2023-03-07","09:11:58",""
"8107489","13.0247","0.0004","17.0204","0.0005","34.1475","0.0009","90","","90","","90","","7570","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C61 H50 Cl2 Fe2 I12 N12 -","- C61 H50 Cl2 Fe2 I12 N12 -","- C244 H200 Cl8 Fe8 I48 N48 -","4","0.5","","Cui, Chuanguo; Zhang, Jinxiao; Xiao, Zhiyin","Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","541","543","10.1515/ncrs-2023-0075","","x-ray","0.71073","MoKα","","0.0815","0.0694","","","0.1551","0.1605","","","","","","1.124","","","","has coordinates","285976","2023-09-04","07:15:51",""
"9000191","14.926","","5.752","","5.204","","90","","90","","90","","446.786","","","","","","","","","","","","Synthetic","3","P b c n","-P 2n 2ab","60","","","Fersmite","- Ca Nb2 O6 -","- Ca Nb2 O6 -","- Ca4 Nb8 O24 -","4","0.5","","Cummings, J. P.; Simonsen, S. H.","The crystal structure of calcium niobate (CaNb2O6)","American Mineralogist","1970","55","","90","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000597","9.251","","8.773","","5.377","","90","","90","","90","","436.392","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","Pyroxene","- Li0.3 Mg1.4 O6 Sc0.3 Si2 -","- Li0.3 Mg1.4 O6 Sc0.3 Si2 -","- Li1.2 Mg5.6 O24 Sc1.2 Si8 -","4","0.5","","Smyth, J. R.; Ito, J.","The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene","American Mineralogist","1977","62","","1252","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:01",""
"9001042","8.7128","","5.2327","","14.487","","90","","90","","90","","660.484","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Lorenzenite","- Na2 O9 Si2 Ti2 -","- Na2 O9 Si2 Ti2 -","- Na8 O36 Si8 Ti8 -","4","0.5","","Sundberg, M. R.; Lehtinen, M.; Kivekas, R.","Refinement of the crystal structure of ramsayite (lorenzenite)","American Mineralogist","1987","72","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001361","6.961","","11.018","","9.964","","90","","90","","90","","764.202","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","Kentrolite","- Fe0.32 Mn1.68 O9 Pb2 Si2 -","- Fe0.32 Mn1.68 O9 Pb2 Si2 -","- Fe1.28 Mn6.72 O36 Pb8 Si8 -","4","0.5","","Moore, P. B.; Sen Gupta, P. K.; Shen, J.; Schlemper, E. O.","The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical crystallographic relations, lone-pair splitting, and cation relation to 8URe2","American Mineralogist","1991","76","","1389","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9001397","14.189","","5.727","","5.12","","90","","90","","90","","416.053","","","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Columbite-(Fe)","- Fe0.333 Nb0.501 O2 Ta0.166 -","- Fe0.333 Nb0.500667 O2 Ta0.166333 -","- Fe3.996 Nb6.008 O24 Ta1.996 -","12","1.5","","Wenger, M.; Armbruster, T.; Geiger, C. A.","Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina sample NCP5, T = 100 K","American Mineralogist","1991","76","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001398","14.221","","5.727","","5.102","","90","","90","","90","","415.526","","","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Columbite-(Fe)","- Fe0.333 Nb0.5 O2 Ta0.167 -","- Fe0.333333 Nb0.499667 O2 Ta0.167 -","- Fe4 Nb5.996 O24 Ta2.004 -","12","1.5","","Wenger, M.; Armbruster, T.; Geiger, C. A.","Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina SAMPLE ncp1, T = 293 K","American Mineralogist","1991","76","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9002030","9.2554","","8.765","","5.3333","","90","","90","","90","","432.656","","","","","","","","0","","","","","5","P b c n","-P 2n 2ab","60","","","Protopyroxene","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.92 Mg6.16 O24 Sc0.92 Si8 -","4","0.5","","Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.","A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6","American Mineralogist","1999","84","","245","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002031","9.2351","","8.731","","5.3216","","90","","90","","90","","429.089","","","","","","","","1110000","","","","","5","P b c n","-P 2n 2ab","60","","","Protopyroxene","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.92 Mg6.16 O24 Sc0.92 Si8 -","4","0.5","","Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.","A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6","American Mineralogist","1999","84","","245","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002032","9.2178","","8.7039","","5.3119","","90","","90","","90","","426.178","","","","","","","","2030000","","","","","5","P b c n","-P 2n 2ab","60","","","Protopyroxene","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.23 Mg1.54 O6 Sc0.23 Si2 -","- Li0.92 Mg6.16 O24 Sc0.92 Si8 -","4","0.5","","Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.","A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6","American Mineralogist","1999","84","","245","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002206","4.946","","20.502","","7.275","","90","","90","","90","","737.706","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Kanemite","- H8 Na O8 Si2 -","- H8 Na O8 Si2 -","- H32 Na4 O32 Si8 -","4","0.5","","Garvie, L. A. J.; Devouard, B.; Groy, T. L.; Camara, F.; Buseck, P. R.","Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia","American Mineralogist","1999","84","","1170","1175","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002782","4.097","","5.0462","","4.4946","","90","","90","","90","","92.923","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","Seifertite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Prewitt, C. T.; Boctor, N. Z.; Hemley, R. J.","Characterization of a high-pressure phase of silica from the Martian meteorite Shergotty alpha-PbO2-like","American Mineralogist","2002","87","","1018","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003431","7.037","","6.928","","4","","90","","90","","90","","195.009","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9003432","9.268","","9.102","","5.255","","90","","90","","90","","443.298","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9003433","9.199","","9.026","","5.211","","90","","90","","90","","432.67","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9003434","9.154","","8.981","","5.185","","90","","90","","90","","426.27","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9003728","14.2877","","5.7363","","5.0561","","90","","90","","90","","414.391","","","","","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 -","- Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 -","- Ca0.004 Fe0.808 Mn3.068 Nb7.64 O24 Sc0.004 Sn0.004 Ta0.32 Ti0.144 W0.008 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003729","14.3267","","5.7392","","5.0674","","90","","90","","90","","416.661","","","","","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 -","- Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 -","- Ca0.004 Fe1.848 Mn1.904 Nb7.224 O24 Sc0.18 Sn0.016 Ta0.344 Ti0.464 W0.016 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003730","14.3434","","5.7415","","5.0665","","90","","90","","90","","417.24","","","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 -","- Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 -","- Ca0.004 Fe2.136 Mn1.828 Nb7.344 O24 Sn0.004 Ta0.376 Ti0.252 W0.056 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003731","14.4003","","5.7501","","5.0784","","90","","90","","90","","420.508","","","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 -","- Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 -","- Ca0.032 Fe3.224 Mn0.592 Nb7.208 O24 Sc0.004 Sn0.012 Ta0.608 Ti0.32 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003732","14.2427","","5.729","","5.0856","","90","","90","","90","","414.967","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263 Mn0.07 Nb0.633333 O2 Ta0.0336667 -","- Fe3.156 Mn0.84 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003733","14.2445","","5.7265","","5.0789","","90","","90","","90","","414.292","","","","","","","","","","Annealed at T = 600 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263667 Mn0.0696667 Nb0.633 O2 Ta0.0336667 -","- Fe3.164 Mn0.836 Nb7.596 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003734","14.2501","","5.7263","","5.0767","","90","","90","","90","","414.26","","","","","","","","","","Annealed at T = 650 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263333 Mn0.0696667 Nb0.633333 O2 Ta0.0336667 -","- Fe3.16 Mn0.836 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003735","14.2582","","5.729","","5.0748","","90","","90","","90","","414.536","","","","","","","","","","Annealed at T = 650 C for t = 200 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.033 -","- Fe0.263667 Mn0.0696667 Nb0.633333 O2 Ta0.0333333 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 200 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003736","14.26","","5.7293","","5.0746","","90","","90","","90","","414.594","","","","","","","","","","Annealed at T = 700 C for t = 5 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.264 Mn0.0696667 Nb0.633333 O2 Ta0.0336667 -","- Fe3.168 Mn0.836 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 5 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003737","14.2658","","5.7299","","5.0748","","90","","90","","90","","414.822","","","","","","","","","","Annealed at T = 700 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 -","- Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 -","- Fe3.16 Mn0.836 Nb7.604 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003738","14.2733","","5.7317","","5.0646","","90","","90","","90","","414.336","","","","","","","","","","Annealed at T = 800 C for t = 7 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 7 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003739","14.2744","","5.7321","","5.0616","","90","","90","","90","","414.152","","","","","","","","","","Annealed at T = 800 C for t = 40 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 40 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003740","14.2852","","5.7361","","5.0574","","90","","90","","90","","414.41","","","","","","","","","","Annealed at T = 950 C for t = 3 h","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 -","- Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 -","- Fe3.164 Mn0.836 Nb7.592 O24 Ta0.408 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 950 C for t = 3 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003741","14.325","","5.744","","5.113","","90","","90","","90","","420.712","","","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 -","- Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 -","- Ca0.036 Fe0.564 Mn3.156 Nb7.1 O24 Ta0.712 Ti0.112 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.565 from Kragero, Norway Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003742","14.344","","5.739","","5.105","","90","","90","","90","","420.245","","","","","","","","","","Annealed at T = 500 C for t = 15 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 -","- Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 -","- Ca0.032 Fe0.568 Mn3.144 Nb7.1 O24 Ta0.712 Ti0.12 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.674 from Kragero, Norway Sample: Annealed at T = 500 C for t = 15 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003743","14.334","","5.737","","5.096","","90","","90","","90","","419.065","","","","","","","","","","Annealed at T = 530 C for t = 92 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.032 Fe0.56 Mn3.144 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.742 from Kragero, Norway Sample: Annealed at T = 530 C for t = 92 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003744","14.352","","5.74","","5.093","","90","","90","","90","","419.564","","","","","","","","","","Annealed at T = 600 C for t = 67 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.032 Fe0.564 Mn3.14 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.817 from Kragero, Norway Sample: Annealed at T = 600 C for t = 67 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003745","14.352","","5.74","","5.09","","90","","90","","90","","419.317","","","","","","","","","","Annealed at T = 600 C for t = 177 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 -","- Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 -","- Ca0.036 Fe0.56 Mn3.14 Nb7.1 O24 Ta0.708 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.844 from Kragero, Norway Sample: Annealed at T = 600 C for t = 177 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003746","14.38","","5.745","","5.088","","90","","90","","90","","420.335","","","","","","","","","","Annealed at T = 700 C for t = 20 m","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.036 Fe0.564 Mn3.132 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.922 from Kragero, Norway Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003747","14.38","","5.75","","5.084","","90","","90","","90","","420.371","","","","","","","","","","Annealed at T = 800 C for t = 15 m","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 -","- Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 -","- Ca0.036 Fe0.56 Mn3.132 Nb7.096 O24 Ta0.716 Ti0.132 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.960 from Kragero, Norway Sample: Annealed at T = 800 C for t = 15 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9003748","14.395","","5.753","","5.083","","90","","90","","90","","420.946","","","","","","","","","","Annealed at T = 800 C for t = 24 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 -","- Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 -","- Ca0.04 Fe0.56 Mn3.128 Nb7.112 O24 Ta0.712 Ti0.136 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9004109","14.413","","5.76","","5.084","","90","","90","","90","","422.068","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","Manganotantalite","- Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 -","- Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 -","- Fe0.04 Mn3.88 Nb2.88 O24 Ta5.12 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 Locality: Bernic lake, Manitoba, Canada","The Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9004110","4.785","","5.758","","5.16","","90","","90","","90","","142.168","","","","","","","","","","","","Bernic lake, Manitoba, Canada","7","P b c n","-P 2n 2ab","60","","","Ixiolite","- Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02 -","- Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02 -","- Fe0.008 Mn1.2 Nb0.96 O8 Sn0.02 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","The Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004254","4.473","","11.308","","4.775","","90","","90","","90","","241.523","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Alumotantite","- Al O4 Ta -","- Al O4 Ta -","- Al4 O16 Ta4 -","4","0.5","","Ercit, T. S.; Hawthorne, F. C.; Cerny, P.","The crystal structure of alumotantite: Its relation to the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds","The Canadian Mineralogist","1992","30","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004294","16.291","","9.181","","10.571","","90","","90","","90","","1581.08","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Preobrazhenskite","- B11 H9 Mg3 O24 -","- B11 H9 Mg3 O24 -","- B44 H36 Mg12 O96 -","4","0.5","","Burns, P. C.; Hawthorne, F. C.","Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral borate","The Canadian Mineralogist","1994","32","","387","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004762","20.5823","","7.4391","","26.2514","","90","","90","","90","","4019.45","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Mo4 Na3 O18 Tl3 U -","- Mo4 Na3 O18 Tl3 U -","- Mo32 Na24 O144 Tl24 U8 -","8","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 1","The Canadian Mineralogist","2003","41","","707","719","10.2113/gscanmin.41.3.707","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005161","14.51","","5.558","","5.173","","90","","90","","90","","417.185","","","","","","","","","","","","Elba Island, Italy","10","P b c n","-P 2n 2ab","60","","","Uranopolycrase","- Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 -","- Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 -","- Ca0.08 Mn0.12 Nb1.44 Nd0.04 O24 Ta0.48 Th0.28 Ti5.84 U2.48 Y1.16 -","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","1993","5","","1161","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005380","4.946","","20.51","","7.277","","90","","90","","90","","738.197","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Kanemite","- H6 Na O8 Si2 -","- H6 Na O8 Si2 -","- H24 Na4 O32 Si8 -","4","0.5","","Vortmann, S.; Rius, J.; Marler, B.; Gies, H.","Structure solution from powder data of the hydrous layer silicate kanemite, a precursor of the industrial ion exchanger SKS-6","European Journal of Mineralogy","1999","11","","125","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:11",""
"9006341","9.306","","8.886","","5.36","","90","","90","","90","","443.235","","","","1360","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006342","9.315","","8.899","","5.365","","90","","90","","90","","444.727","","","","1400","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007251","14.288","","5.7364","","5.0562","","90","","90","","90","","414.415","","","","293.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.004 Fe2.988 Mn0.86 Nb7.576 O24 Sc0.012 Sn0.004 Ta0.376 Ti0.108 W0.012 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 20 C Locality: San Jose de Safira, Minas Gerais, Brazil","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007252","14.3191","","5.7482","","5.0713","","90","","90","","90","","417.414","","","","573.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.004 Fe2.988 Mn0.86 Nb7.576 O24 Sc0.012 Sn0.004 Ta0.376 Ti0.108 W0.012 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 300 C Locality: San Jose de Safira, Minas Gerais, Brazil","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007253","14.3515","","5.761","","5.0833","","90","","90","","90","","420.282","","","","873.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 -","- Ca0.004 Fe2.988 Mn0.86 Nb7.576 O24 Sc0.012 Sn0.004 Ta0.376 Ti0.108 W0.012 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 600 C Locality: San Jose de Safira, Minas Gerais, Brazil","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007254","14.386","","5.7478","","5.0797","","90","","90","","90","","420.029","","","","293.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.036 Fe0.552 Mn3.168 Nb7.176 O24 Sc0.008 Sn0.012 Ta0.664 Ti0.308 W0.004 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 20 C Locality: Kragero, Norway","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007255","14.4159","","5.7593","","5.0905","","90","","90","","90","","422.641","","","","573.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.036 Fe0.552 Mn3.168 Nb7.176 O24 Sc0.008 Sn0.012 Ta0.664 Ti0.308 W0.004 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 300 C Locality: Kragero, Norway","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007256","14.4508","","5.7741","","5.1025","","90","","90","","90","","425.754","","","","873.15","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 -","- Ca0.036 Fe0.552 Mn3.168 Nb7.176 O24 Sc0.008 Sn0.012 Ta0.664 Ti0.308 W0.004 -","4","0.5","","Tarantino S C; Zema M; Pistorino M; Domeneghetti M C","High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 600 C Sample: Kragero, Norway","Physics and Chemistry of Minerals","2003","30","","590","598","10.1007/s00269-003-0345-z","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007492","8.462","","5.985","","6.138","","90","","90","","90","","310.859","","","","","","","","","","","","Synthetic","2","P b c n","-P 2n 2ab","60","","","Bowieite","- Rh2 S3 -","- Rh2 S3 -","- Rh8 S12 -","4","0.5","","Parthe, E.; Hohnke, D.; Hulliger, F.","A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3","Acta Crystallographica","1967","23","","832","840","10.1107/S0365110X67003767","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007495","14.418","","5.76","","5.099","","90","","90","","90","","423.46","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Manganotantalite","- Mn Nb O6 Ta -","- Mn Nb O6 Ta -","- Mn4 Nb4 O24 Ta4 -","4","0.5","","Klein, S.; Weitzel, H.","Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure","Acta Crystallographica, Section A","1976","32","4","587","591","10.1107/S0567739476001253","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9007747","5.683","","4.784","","14.648","","90","","90","","90","","398.242","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Li2 O5 Si2 -","- Li2 O5 Si2 -","- Li8 O20 Si8 -","4","0.5","","Smith, R. I.; Howie, R. A.; West, A. R.; Aragon-Pina A; Villafuerte-Castrejon M E","The structure of metastable lithium disilicate, Li2Si2O5","Acta Crystallographica, Section C","1990","46","","363","365","10.1107/S010827018900750X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007921","7.3114","","10.9216","","6.1711","","90","","90","","90","","492.776","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Mn O5 Te2 -","- Mn O5 Te2 -","- Mn4 O20 Te8 -","4","0.5","","Johnston, M. G.; Harrison, W. T. A.","Manganese tellurite, beta-MnTe2O5","Acta Crystallographica, Section E","2002","58","","i59","i61","10.1107/S1600536802010231","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007999","7.2391","","10.658","","5.988","","90","","90","","90","","462","","","","","","","","","","","","Synthetic","3","P b c n","-P 2n 2ab","60","","","","- Mg O5 Te2 -","- Mg O5 Te2 -","- Mg4 O20 Te8 -","4","0.5","","Weil, M.","Redetermination of MgTe2O5","Acta Crystallographica, Section E","2005","61","","i237","i239","10.1107/S1600536805033751","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008307","4.706","","5.553","","5.024","","90","","90","","90","","131.289","","","","","","","","","","","","Rakwana, Sri Lanka","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.67 Zr0.33 -","- O2 Ti0.67 Zr0.33 -","- O8 Ti2.68 Zr1.32 -","4","0.5","","Willgallis, A.; Hartl, H.","(Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur Locality: Rakwana, Sri Lanka","Zeitschrift fur Kristallographie","1983","164","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9009091","4.947","","5.951","","5.497","","90","","90","","90","","161.829","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","Scrutinyite","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009092","4.8094","","5.6433","","4.6007","","90","","90","","90","","124.867","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- O2 Re -","- O2 Re -","- O8 Re4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009242","4.3441","","6.111","","4.285","","90","","90","","90","","113.753","","","","","","","","15000000","","","","","2","P b c n","-P 2n 2ab","60","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.5","","Park, J. H.; Yoo, C. S.; Iota, V.; Cynn, H.; Nicol, M. F.; Le Bihan, T.","Crystal structure of bent carbon dioxide phase IV Sample: P = 15 GPa, the authors think this structure is correct","Physical Review B","2003","68","","014107","014107","10.1103/PhysRevB.68.014107","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009277","17.16399","","7.415","","6.673","","90","","90","","90","","849.279","","","","","","","","","","","","Reaphook Hill, South Australia, Australia","5","P b c n","-P 2n 2ab","60","","","Scholzite","- Ca0.5 H2 O5 P Zn -","- Ca0.5 H2 O5 P Zn -","- Ca4 H16 O40 P8 Zn8 -","8","1","","Hill, R. J.; Johnson, J. E.; Jones, J. B.","Scholzite and other phosphate minerals from Reaphook Hill, South Australia","Neues Jahrbuch fur Mineralogie, Monatshefte","1973","1973","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9010194","14.6801","","14.0287","","16.7196","","90","","90","","90","","3443.28","","","","","","","","","","","","Katanga, Congo","4","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H34 Na0.48 O37.91 U8 -","- H27.82 Na0.48 O37.91 U8 -","- H111.28 Na1.92 O151.64 U32 -","4","0.5","","Klingensmith, A. L.; Deely, K. M.; Kinman, W. S.; Kelly, V.; Burns, P. C.","Neptunium incorporation in sodium-substituted metaschoepite Sample: Natural","American Mineralogist","2007","92","","662","669","10.2138/am.2007.2350","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010195","14.705","","14.0565","","16.7051","","90","","90","","90","","3452.96","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H32 Na1.09 O38.328 U8 -","- H26.656 Na1.09 O38.328 U8 -","- H106.624 Na4.36 O153.312 U32 -","4","0.5","","Klingensmith, A. L.; Deely, K. M.; Kinman, W. S.; Kelly, V.; Burns, P. C.","Neptunium incorporation in sodium-substituted metaschoepite Sample: Na-Ms-CRY","American Mineralogist","2007","92","","662","669","10.2138/am.2007.2350","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010196","14.6401","","14.0417","","16.7044","","90","","90","","90","","3433.96","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H32 Na1.22 O39.09 U8 -","- H28.18 Na1.22 O39.09 U8 -","- H112.72 Na4.88 O156.36 U32 -","4","0.5","","Klingensmith, A. L.; Deely, K. M.; Kinman, W. S.; Kelly, V.; Burns, P. C.","Neptunium incorporation in sodium-substituted metaschoepite Sample: Na-Ms-CRY-Np","American Mineralogist","2007","92","","662","669","10.2138/am.2007.2350","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010197","14.6317","","14.0147","","16.6977","","90","","90","","90","","3424.01","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H34 Na1.16 O37.9 U8 -","- H27.8 Na1.16 O37.9 U8 -","- H111.2 Na4.64 O151.6 U32 -","4","0.5","","Klingensmith, A. L.; Deely, K. M.; Kinman, W. S.; Kelly, V.; Burns, P. C.","Neptunium incorporation in sodium-substituted metaschoepite Sample: Na-Ms-AB1","American Mineralogist","2007","92","","662","669","10.2138/am.2007.2350","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010198","14.6592","","14.0358","","16.7148","","90","","90","","90","","3439.13","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H34 Na0.47 O37.082 U8 -","- H26.164 Na0.47 O37.082 U8 -","- H104.656 Na1.88 O148.328 U32 -","4","0.5","","Klingensmith, A. L.; Deely, K. M.; Kinman, W. S.; Kelly, V.; Burns, P. C.","Neptunium incorporation in sodium-substituted metaschoepite Sample: Na-Ms-AB2","American Mineralogist","2007","92","","662","669","10.2138/am.2007.2350","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010403","6.9788","","11.0164","","10.0881","","90","","90","","90","","775.586","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Melanotekite","- Fe2 O9 Pb2 Si2 -","- Fe2 O9 Pb2 Si2 -","- Fe8 O36 Pb8 Si8 -","4","0.5","","Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.","Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9)","American Mineralogist","2008","93","","573","583","10.2138/am.2008.2594","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010405","6.8981","","10.6906","","9.7413","","90","","90","","90","","718.37","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Al2 O9 Pb2 Si2 -","- Al2 O9 Pb2 Si2 -","- Al8 O36 Pb8 Si8 -","4","0.5","","Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.","Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9)","American Mineralogist","2008","93","","573","583","10.2138/am.2008.2594","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010673","10.81","","8.336","","6.822","","90","","90","","90","","614.745","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","5","P b c n","-P 2n 2ab","60","","","Thermessaite","- Al F3 K2 O4 S -","- Al F3 K2 O4 S -","- Al4 F12 K8 O16 S4 -","4","0.5","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P.","Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z-coordinate of S altered","The Canadian Mineralogist","2008","46","","693","700","10.3749/canmin.46.3.693","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010848","4.8495","","5.4635","","5.0462","","90","","90","","90","","133.7","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.425 Zr0.575 -","- O2 Ti0.425 Zr0.575 -","- O8 Ti1.7 Zr2.3 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010849","4.8349","","5.4801","","5.0439","","90","","90","","90","","133.642","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.45 Zr0.55 -","- O2 Ti0.45 Zr0.55 -","- O8 Ti1.8 Zr2.2 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010850","4.8069","","5.4785","","5.0339","","90","","90","","90","","132.566","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.5 Zr0.5 -","- O2 Ti0.5 Zr0.5 -","- O8 Ti2 Zr2 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010851","4.7762","","5.501","","5.0253","","90","","90","","90","","132.034","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.548 Zr0.452 -","- O2 Ti0.548 Zr0.452 -","- O8 Ti2.192 Zr1.808 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010852","4.7447","","5.4925","","5.0119","","90","","90","","90","","130.611","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.6 Zr0.4 -","- O2 Ti0.6 Zr0.4 -","- O8 Ti2.4 Zr1.6 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010853","4.72","","5.5078","","5.0018","","90","","90","","90","","130.031","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.65 Zr0.35 -","- O2 Ti0.65 Zr0.35 -","- O8 Ti2.6 Zr1.4 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010854","4.7112","","5.4944","","4.9962","","90","","90","","90","","129.328","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.666 Zr0.334 -","- O2 Ti0.666 Zr0.334 -","- O8 Ti2.664 Zr1.336 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011298","14.6861","","13.9799","","16.7063","","90","","90","","90","","3429.97","","","","150","","","","","","","","Synthetic","3","P b c n","-P 2n 2ab","60","","","Metaschoepite","- H34 O40 U8 -","- H32 O40 U8 -","- H128 O160 U32 -","4","0.5","","Weller, M. T.; Light, M. E.; Gelbrich, T.","Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K","Acta Crystallographica, Section B","2000","56","4","577","583","10.1107/S0108768199016559","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9011434","14.6432","","5.5528","","5.1953","","90","","90","","90","","422.434","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Euxenite-(Y)","- Nb O6 Ti Y -","- Nb O6 Ti Y -","- Nb4 O24 Ti4 Y4 -","4","0.5","","Weitzel, H.; Schrocke, H.","Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4","Zeitschrift fur Kristallographie","1980","152","","69","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011955","7.65","","7.55","","6.548","","90","","90","","90","","378.196","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Brenkite","- C Ca2 F2 O3 -","- C Ca2 F2 O3 -","- C4 Ca8 F8 O12 -","4","0.5","","Leufer, U.; Tillmanns, E.","Die kristallstruktur von brenkit, Ca2F2CO3","Tschermaks Mineralogische und Petrographische Mitteilungen","1980","27","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012222","14.1875","","5.7001","","5.0331","","90","","90","","90","","407.028","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Magnocolumbite","- Mg Nb2 O6 -","- Mg Nb2 O6 -","- Mg4 Nb8 O24 -","4","0.5","","Pagola, S.; Carbonio, R. E.; Alonso, J. A.; Fernandez-Diaz M T","Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14<x<1.60) phases Locality: synthetic Note: reported and calculated Biso(O2)'s do not match","Journal of Solid State Chemistry","1997","134","","76","84","10.1006/jssc.1997.7538","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012269","13.594","","5.8317","","5.8583","","90","","90","","90","","464.423","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- P Pd Se -","- P Pd Se -","- P8 Pd8 Se8 -","8","1","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012334","18.58","","13.181","","8.6","","90","","90","","90","","2106.17","","","","","","","","","","","","Synthetic","1","P b c n","-P 2n 2ab","60","","","Sulfur","- S20 -","- S20 -","- S80 -","4","0.5","","Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A.","Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S20","Zeitschrift fur Anorganische und Allgemeine Chemie","1974","405","","153","162","10.1002/zaac.19744050204","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013115","23.706","","5.723","","5.045","","90","","90","","90","","684.452","","","","","","","","","","","","Qitianling, Hunan Province, China","8","P b c n","-P 2n 2ab","60","","","Qitianlingite","- Fe1.345 Mn0.559 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.919 -","- Fe1.3446 Mn0.5588 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.9189 -","- Fe5.3784 Mn2.2352 Nb6.764 O40 Sn0.064 Ta1.404 Ti0.408 W3.6756 -","4","0.5","","Zhizhong, P.; Su, W.; Zhesheng, M.; Guangming, Y.","The crystal structure of qitianlingite (Fe2Nb2WO10)","Kexue Tongbao","1988","33","","856","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013658","9.171","","8.513","","5.254","","90","","90","","90","","410.194","","","","","","","","","","","","theoretical structure","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Jahn, S.; Martonak, R.","Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure","American Mineralogist","2009","94","","950","956","10.2138/am.2009.3118","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013659","9.177","","8.816","","4.812","","90","","90","","90","","389.312","","","","","","","","0","","","","theoretical structure","3","P b c n","-P 2n 2ab","60","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Jahn, S.; Martonak, R.","Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure Note: modelled high-pressure phase at P = 0 GPa","American Mineralogist","2009","94","","950","956","10.2138/am.2009.3118","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013675","13.2083","","9.7832","","8.6545","","90","","90","","90","","1118.33","","","","","","","","","","","","Blue Bell claims near Baker, San Bernardino County, California, USA","4","P b c n","-P 2n 2ab","60","","","Plumbophyllite","- H2 O5.5 Pb Si2 -","- H O5.5 Pb Si2 -","- H8 O44 Pb8 Si16 -","8","1","","Kampf, A. R.; Rossman, G. R.; Housley, R. M.","Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino County, California Locality: Blue Bell claims near Baker, San Bernardino County, California, USA","American Mineralogist","2009","94","","1198","1204","10.2138/am.2009.3156","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014279","14.3196","","5.7413","","5.0624","","90","","90","","90","","416.196","","","","","","","","","","","","Brazil","5","P b c n","-P 2n 2ab","60","","","Tantalite-(Mn)","- Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 -","- Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 -","- Fe0.36 Mn3.52 Nb1.12 O24 Ta6.88 -","4","0.5","","dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M.","Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6","Brazilian Journal of Physics","2001","31","","616","631","10.1590/S0103-97332001000400012","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014442","14.5706","","5.5339","","5.1832","","90","","90","","90","","417.933","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Tm)","- O6 Ta Ti Tm -","- O6 Ta Ti Tm -","- O24 Ta4 Ti4 Tm4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014551","14.5288","","5.5226","","5.1572","","90","","90","","90","","413.797","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Lu)","- Lu O6 Ta Ti -","- Lu O6 Ta Ti -","- Lu4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015174","14.2737","","5.73543","","5.0554","","90","","90","","90","","413.864","","","","","","","","","","","","Brazil","4","P b c n","-P 2n 2ab","60","","","Columbite-(Fe)","- Fe Nb1.2 O6 Ta0.8 -","- Fe Nb1.2 O6 Ta0.8 -","- Fe4 Nb4.8 O24 Ta3.2 -","4","0.5","","dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M.","Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6","Brazilian Journal of Physics","2001","31","","616","631","10.1590/S0103-97332001000400012","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015462","14.6236","","5.5637","","5.203","","90","","90","","90","","423.323","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Ho)","- Ho O6 Ta Ti -","- Ho O6 Ta Ti -","- Ho4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016333","14.5478","","5.5289","","5.1683","","90","","90","","90","","415.704","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Yb)","- O6 Ta Ti Yb -","- O6 Ta Ti Yb -","- O24 Ta4 Ti4 Yb4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016471","5.0851","","11.4165","","28.6408","","90","","90","","90","","1662.71","","","","","","","","","","","","Birkhin massif, Baikal Lake area, North Caucasus, Russia","3","P b c n","-P 2n 2ab","60","","","Pavlovskyite","- Ca8 O18 Si5 -","- Ca8 O18 Si5 -","- Ca32 O72 Si20 -","4","0.5","","Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M.","Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus","American Mineralogist","2012","97","","503","512","10.2138/am.2012.3970","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016913","18.3","","14.2331","","17.9192","","90","","90","","90","","4667.34","","","","","","","","","","","","Teofilo Otoni, Minas Gerais, Brazil","5","P b c n","-P 2n 2ab","60","","","Haiweeite","- Ca H17 O25.5 Si5 U2 -","- Ca H17 O25.5 Si5 U2 -","- Ca8 H136 O204 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","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""