Crystallography Open Database
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| COD ID: 1000179 | |
| CIF file | Formula: - F3 Fe Na0.11 - Comments: de Pape, R; Tressaud, A; Portier, J Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl) Materials Research Bulletin 3 (1968) 753-758 Space group: R -3 c :R Cell volume: 106.7 Cell parameters: 5.372; 5.372; 5.372; 58.85; 58.85; 58.85; |
| COD ID: 1001452 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 172.1 Cell parameters: 3.8128; 3.8806; 11.6303; 90; 90; 90; |
| COD ID: 1001453 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 172.1 Cell parameters: 3.8124; 3.8807; 11.6303; 90; 90; 90; |
| COD ID: 1001454 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 172.1 Cell parameters: 3.8131; 3.8806; 11.6329; 90; 90; 90; |
| COD ID: 1001455 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 172.3 Cell parameters: 3.8141; 3.8812; 11.6395; 90; 90; 90; |
| COD ID: 1001456 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 172.7 Cell parameters: 3.8164; 3.8824; 11.6546; 90; 90; 90; |
| COD ID: 1001457 | |
| CIF file | Formula: - Ba2 Cu3 O7 Y - Comments: Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters 3 (1987) 1301-1307 Space group: P m m m Cell volume: 173.3 Cell parameters: 3.8206; 3.8851; 11.6757; 90; 90; 90; |
| COD ID: 1004071 | |
| CIF file | Formula: - Bi1.72 O3 Sr0.53 - Comments: Boivin, J C; Thomas, D J Structural investigations on bismuth-based oxides Solid State Ionics 3 (1981) 457-462 Space group: R -3 m :H Cell volume: 388 Cell parameters: 3.971; 3.971; 28.41; 90; 90; 120; |
| COD ID: 1005034 | |
| CIF file | Formula: - Ba6 Ni25 S27 - Comments: Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R Structure and properties of Ba6 Ni25 S27 Chemistry - A European Journal 3(11) (1997) 1884-1889 Space group: P m -3 m Cell volume: 1017 Cell parameters: 10.0565; 10.0565; 10.0565; 90; 90; 90; |
| COD ID: 1006040 | |
| CIF file | Formula: - F4 H2 K Mn O - Comments: Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter 3 (1991) 2379-2390 Space group: C 1 2/c 1 Cell volume: 846.1 Cell parameters: 13.7546; 6.1406; 10.3343; 90; 104.23; 90; |
| COD ID: 1006041 | |
| CIF file | Formula: - F4 H2 Mn O Rb - Comments: Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter 3 (1991) 2379-2390 Space group: C 1 2/c 1 Cell volume: 904.6 Cell parameters: 13.8323; 6.4285; 10.4837; 90; 103.98; 90; |
| COD ID: 1006042 | |
| CIF file | Formula: - La2 Ni O4 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: B m a b Cell volume: 377.1 Cell parameters: 5.4618; 5.4967; 12.561; 90; 90; 90; |
| COD ID: 1006043 | |
| CIF file | Formula: - La2 Ni O4 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: P 42/n c m :2 Cell volume: 378.2 Cell parameters: 5.4995; 5.4995; 12.5052; 90; 90; 90; |
| COD ID: 1006044 | |
| CIF file | Formula: - La2 Ni O4 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: B m a b Cell volume: 376.3 Cell parameters: 5.4419; 5.5364; 12.4896; 90; 90; 90; |
| COD ID: 1006045 | |
| CIF file | Formula: - La2 Ni O4 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: B m a b Cell volume: 376.9 Cell parameters: 5.4499; 5.5275; 12.5118; 90; 90; 90; |
| COD ID: 1006047 | |
| CIF file | Formula: - La2 Ni O4.15 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: I 4/m m m (a+b,-a+b,c) Cell volume: 376.3 Cell parameters: 5.45514; 5.45514; 12.6461; 90; 90; 90; |
| COD ID: 1006048 | |
| CIF file | Formula: - La2 Ni O4.1 - Comments: Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter 3 (1991) 3215-3234 Space group: I 4/m m m (a+b,-a+b,c) Cell volume: 378.8 Cell parameters: 5.4897; 5.4897; 12.5708; 90; 90; 90; |
| COD ID: 1006049 | |
| CIF file | Formula: - Bi4 Cu5 O19.06 Sr7.86 - Comments: Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~ Chemistry of Materials (1,1989- 3(5) (1991) 844-852 Space group: F m m m Cell volume: 4389.1 Cell parameters: 5.3671; 33.9719; 24.0722; 90; 90; 90; |
| COD ID: 1006097 | |
| CIF file | Formula: - Cu La2 O6 Ti - Comments: Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction Journal of Materials Chemistry 3(3) (1993) 1171-1177 Space group: P n m a Cell volume: 245.7 Cell parameters: 5.6262; 7.8396; 5.5702; 90; 90; 90; |
| COD ID: 1008258 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 179.4 Cell parameters: 3.796; 3.796; 12.447; 90; 90; 90; |
| COD ID: 1008259 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 179.7 Cell parameters: 3.799; 3.799; 12.454; 90; 90; 90; |
| COD ID: 1008260 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 181.1 Cell parameters: 3.806; 3.806; 12.5; 90; 90; 90; |
| COD ID: 1008261 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 181.5 Cell parameters: 3.807; 3.807; 12.52; 90; 90; 90; |
| COD ID: 1008262 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 182.3 Cell parameters: 3.811; 3.811; 12.554; 90; 90; 90; |
| COD ID: 1008263 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 183.6 Cell parameters: 3.817; 3.817; 12.6; 90; 90; 90; |
| COD ID: 1008264 | |
| CIF file | Formula: - Co La O4 Sr - Comments: Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174 Space group: I 4/m m m Cell volume: 185.1 Cell parameters: 3.824; 3.824; 12.659; 90; 90; 90; |
| COD ID: 1008481 | |
| CIF file | Formula: - Cu La1.85 O4 Sr0.15 - Comments: Decroux, M; Junod, A; Bezinge, A; Cattani, D; Cors, J; Jorda, L; Stettler, A; Francois, M; Yvon, K; Fischer, O; Muller, J Structure, Resistivity, Critical Field, Specific-Heat Jump at T~c~, Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature Superconductor La~2-x~ Sr~x~ Cu O~4~. Europhysics Letters 3 (1987) 1035-1040 Space group: I 4/m m m Cell volume: 188.5 Cell parameters: 3.7793; 3.7793; 13.2; 90; 90; 90; |
| COD ID: 1010325 | |
| CIF file | Formula: - P - Comments: Hultgren, R; Gingrich, N S; Warren, B E The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus Journal of Chemical Physics 3 (1935) 351-355 Space group: B m a b Cell volume: 152.2 Cell parameters: 3.31; 4.38; 10.5; 90; 90; 90; |
| COD ID: 1010328 | |
| CIF file | Formula: - Cl2 - Comments: Keesom, Willem Hendrik; Taconis, Krijn Wijbren On the crystal structure of chlorine Physica (The Hague) (1,1934-17,1951) 3 (1936) 237-242 Space group: P 42/n c m :1 Cell volume: 448.4 Cell parameters: 8.56; 8.56; 6.12; 90; 90; 90; |
| COD ID: 1010517 | |
| CIF file | Formula: - Cl6 H4 K3 O2 Tl - Comments: Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics 3 (1935) 645-649 Space group: I 4/m m m Cell volume: 4518.1 Cell parameters: 15.841; 15.841; 18.005; 90; 90; 90; |
| COD ID: 1010518 | |
| CIF file | Formula: - Br6 H2.286 O1.143 Rb3 Tl - Comments: Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics 3 (1935) 645-649 Space group: I 4/m m m Cell volume: 5588 Cell parameters: 16.95; 16.95; 19.45; 90; 90; 90; |
| COD ID: 1010604 | |
| CIF file | Formula: - Ag2 O - Comments: Wyckoff, R W G The Crystal Structure of Silver Oxide (Ag~2~ O) American Journal of Science, Serie 5(1,1921-1938) 3 (1922) 184-188 Space group: P n -3 :1 Cell volume: 107.9 Cell parameters: 4.76; 4.76; 4.76; 90; 90; 90; |
| COD ID: 1010844 | |
| CIF file | Formula: - As2 Cl9 Cs3 - Comments: Hoard, J L; Goldstein, L The structure of Caesium Enneachlordiarsenite Journal of Chemical Physics 3 (1935) 117-122 Space group: Cell volume: 419.1 Cell parameters: 7.37; 7.37; 8.91; 90; 90; 120; |
| COD ID: 1010847 | |
| CIF file | Formula: - H16 O12 S Sm - Comments: Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics 3 (1935) 197-198 Space group: C 1 2/c 1 Cell volume: 1634.8 Cell parameters: 20.3; 6.76; 13.53; 90; 118.3; 90; |
| COD ID: 1010869 | |
| CIF file | Formula: - Cl9 Cs3 Tl2 - Comments: Hoard, J L; Goldstein, L The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~ Journal of Chemical Physics 3 (1935) 199-202 Space group: R -3 c RS Cell volume: 864.8 Cell parameters: 9.58; 9.58; 9.58; 83.8; 83.8; 83.8; |
| COD ID: 1010974 | |
| CIF file | Formula: - Cr N - Comments: Blix, R Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 229-239 Space group: F m -3 m Cell volume: 71.2 Cell parameters: 4.144; 4.144; 4.144; 90; 90; 90; |
| COD ID: 1010978 | |
| CIF file | Formula: - F K - Comments: Broch, E; Oftedal, I; Pabst, A Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 209-214 Space group: F m -3 m Cell volume: 152.6 Cell parameters: 5.3437; 5.3437; 5.3437; 90; 90; 90; |
| COD ID: 1011025 | |
| CIF file | Formula: - Ag I - Comments: Helmholz, L The Crystal Structure of Hexagonal Silver Iodide Journal of Chemical Physics 3 (1935) 740-747 Space group: P 63 m c S Cell volume: 137.2 Cell parameters: 4.59; 4.59; 7.52; 90; 90; 120; |
| COD ID: 1011026 | |
| CIF file | Formula: - Fe H O2 - Comments: Ewing, F J The Crystal Structure of Lepidocrocite Journal of Chemical Physics 3 (1935) 420-424 Space group: A m a m Cell volume: 148.1 Cell parameters: 3.87; 12.51; 3.06; 90; 90; 90; |
| COD ID: 1011027 | |
| CIF file | Formula: - Al H O2 - Comments: Ewing, F J The Crystal Structure of Diaspore Journal of Chemical Physics 3 (1935) 203-207 Space group: P b n m Cell volume: 117.3 Cell parameters: 4.4; 9.39; 2.84; 90; 90; 90; |
| COD ID: 1011160 | |
| CIF file | Formula: - S8 - Comments: Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics 3 (1935) 6-8 Space group: F d d d :1 Cell volume: 3324.1 Cell parameters: 10.48; 12.92; 24.54999; 90; 90; 90; |
| COD ID: 1100249 | |
| CIF file | Formula: - C21 H29 N O3 - Comments: Bach, Thorsten; Bergmann, Hermann; Harms, Klaus Enantioselective Photochemical Reactions of 2-Pyridones in Solution Organic Letters 3(4) (2001) 601-603 Space group: P 21 21 21 Cell volume: 1889.88 Cell parameters: 7.2624; 8.541; 30.4681; 90; 90; 90; |
| COD ID: 1500045 | |
| CIF file | Formula: - C14 H10 Br2 N2 O7 Ru - Comments: Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics 3(11) (2001) 1992 Space group: P 1 21/c 1 Cell volume: 1729.74 Cell parameters: 6.5744; 19.604; 13.4362; 90; 92.7382; 90; |
| COD ID: 1507245 | |
| CIF file | Formula: - C14 H6 N2 O4 - Comments: Keeling, D. L.; Oxtoby, N. S.; Wilson, C.; Humphry, M. J.; Champness, N. R.; Beton, P. H. Assembly and Processing of Hydrogen Bond Induced Supramolecular Nanostructures Nano Letters 3(1) (2003) 9 Space group: P -1 Cell volume: 519.78 Cell parameters: 7.6345; 8.1774; 8.9355; 89.56; 71.295; 80.065; |
| COD ID: 1507500 | |
| CIF file | Formula: - C7 H9 N5 - Comments: Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N. Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid Organic Letters 3(1) (2001) 99 Space group: P 1 21/c 1 Cell volume: 818.9 Cell parameters: 8.712; 12.524; 8.438; 90; 117.2; 90; |
| COD ID: 1507501 | |
| CIF file | Formula: - C20 H20 Cl N O2 S - Comments: Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters 3(3) (2001) 369 Space group: P -1 Cell volume: 909.5 Cell parameters: 6.15; 10.433; 14.725; 74.73; 87.33; 86.8; |
| COD ID: 1507502 | |
| CIF file | Formula: - C21 H22 Cl N O2 S - Comments: Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters 3(3) (2001) 369 Space group: P 1 21 1 Cell volume: 1943.3 Cell parameters: 12.398; 9.766; 16.128; 90; 95.65; 90; |
| COD ID: 1507503 | |
| CIF file | Formula: - C15 H13 N O2 - Comments: Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D. Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution Organic Letters 3(4) (2001) 523 Space group: P 1 21/c 1 Cell volume: 1208.5 Cell parameters: 13.0629; 5.3745; 17.45; 90; 99.449; 90; |
| COD ID: 1507504 | |
| CIF file | Formula: - C70 H81 Cl3 N6 O9 - Comments: Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters 3(2) (2001) 267 Space group: P -1 Cell volume: 3432.7 Cell parameters: 15.8166; 15.9376; 16.5142; 68.705; 66.989; 67.819; |
| COD ID: 1507505 | |
| CIF file | Formula: - C71 H84 N6 O9 - Comments: Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters 3(2) (2001) 267 Space group: C 1 2/c 1 Cell volume: 14378 Cell parameters: 17.264; 29.223; 28.645; 90; 95.776; 90; |
| COD ID: 1507506 | |
| CIF file | Formula: - C21 H26 N2 O2 - Comments: Myers, Andrew G.; Barbay, Joseph K. On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates Organic Letters 3(3) (2001) 425 Space group: P 65 Cell volume: 2718.5 Cell parameters: 10.0689; 10.0689; 30.962; 90; 90; 120; |
| COD ID: 1507507 | |
| CIF file | Formula: - C25 H15 F12 N O Se - Comments: Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium Organic Letters 3(5) (2001) 691 Space group: P 1 21/n 1 Cell volume: 2455.52 Cell parameters: 9.701; 15.335; 16.841; 90; 101.446; 90; |
| COD ID: 1507508 | |
| CIF file | Formula: - C15 H18 O4 - Comments: Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L. One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥ Organic Letters 3(16) (2001) 2447 Space group: P -1 Cell volume: 2659.1 Cell parameters: 11.471; 14.158; 17.121; 73.02; 89.26; 89.44; |
| COD ID: 1507509 | |
| CIF file | Formula: - C12 H10 S2 - Comments: Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration Organic Letters 3(23) (2001) 3639 Space group: P 21 21 21 Cell volume: 1046 Cell parameters: 23.455; 8.073; 5.524; 90; 90; 90; |
| COD ID: 1507510 | |
| CIF file | Formula: - C13 H14 Br Cl O3 - Comments: Evans, David A.; Burch, Jason D. Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain Organic Letters 3(4) (2001) 503 Space group: P 1 21 1 Cell volume: 646.76 Cell parameters: 9.0192; 4.9332; 15.1987; 90; 106.981; 90; |
| COD ID: 1507511 | |
| CIF file | Formula: - C28 H32 N2 O3 - Comments: Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation Organic Letters 3(10) (2001) 1583 Space group: P 1 21/c 1 Cell volume: 2212.1 Cell parameters: 9.3178; 26.18; 9.0683; 90; 90.272; 90; |
| COD ID: 1507512 | |
| CIF file | Formula: - C24 H25 Br2 O6 - Comments: Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A. Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules Organic Letters 3(11) (2001) 1649 Space group: P 1 21 1 Cell volume: 1225.2 Cell parameters: 9.8354; 9.7459; 12.7953; 90; 92.642; 90; |
| COD ID: 1507513 | |
| CIF file | Formula: - C17 H30 O4 - Comments: de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions Organic Letters 3(12) (2001) 1905 Space group: P -1 Cell volume: 932.6 Cell parameters: 8.653; 10.035; 12.381; 102.262; 110.021; 103.18; |
| COD ID: 1507514 | |
| CIF file | Formula: - C15 H12 N2 S5 - Comments: Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters 3(12) (2001) 1941 Space group: P 1 21/c 1 Cell volume: 3335.8 Cell parameters: 19.646; 5.849; 29.643; 90; 101.67; 90; |
| COD ID: 1507515 | |
| CIF file | Formula: - C9 H7 N S4 - Comments: Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters 3(12) (2001) 1941 Space group: C 1 2/c 1 Cell volume: 2156.6 Cell parameters: 12.996; 7.934; 22.205; 90; 109.62; 90; |
| COD ID: 1507516 | |
| CIF file | Formula: - C70 H100 B4 O26 - Comments: Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M. Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds Organic Letters 3(16) (2001) 2443 Space group: P -1 Cell volume: 1756.8 Cell parameters: 12.105; 12.145; 13.547; 74.72; 66.281; 81.38; |
| COD ID: 1507517 | |
| CIF file | Formula: - C23 H37 N O5 S Si - Comments: Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters 3(13) (2001) 2109 Space group: P 1 21 1 Cell volume: 1241.68 Cell parameters: 10.6837; 6.2994; 18.8641; 90; 102.031; 90; |
| COD ID: 1507518 | |
| CIF file | Formula: - C24 H26 N2 O7 S - Comments: Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters 3(13) (2001) 2109 Space group: P 1 21/n 1 Cell volume: 6968.7 Cell parameters: 21.9379; 13.6295; 23.4087; 90; 95.352; 90; |
| COD ID: 1507519 | |
| CIF file | Formula: - C16 H11 Cl3 O S3 - Comments: Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S. Synthesis and Crystal Structure of a Tubular Sexithiophene Organic Letters 3(13) (2001) 2129 Space group: A b a 2 Cell volume: 3557.5 Cell parameters: 24.646; 10.612; 13.602; 90; 90; 90; |
| COD ID: 1507520 | |
| CIF file | Formula: - C13 H12 O3 - Comments: Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters 3(16) (2001) 2533 Space group: P b c a Cell volume: 1999.81 Cell parameters: 8.1348; 12.0317; 20.4322; 90; 90; 90; |
| COD ID: 1507521 | |
| CIF file | Formula: - C15 H20 O2 - Comments: Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans Organic Letters 3(17) (2001) 2669 Space group: P -1 Cell volume: 1287.45 Cell parameters: 8.9084; 10.0653; 14.7694; 84.534; 84.355; 78.48; |
| COD ID: 1507522 | |
| CIF file | Formula: - C16 H26 O5 S - Comments: Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L. Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide Organic Letters 3(16) (2001) 2563 Space group: P 21 21 21 Cell volume: 1674.98 Cell parameters: 6.4313; 11.6244; 22.4048; 90; 90; 90; |
| COD ID: 1507523 | |
| CIF file | Formula: - C42 H24 - Comments: Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter 8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs) Organic Letters 3(20) (2001) 3115 Space group: P 1 21/n 1 Cell volume: 2738 Cell parameters: 15.01; 9.2219; 20.202; 90; 101.725; 90; |
| COD ID: 1507524 | |
| CIF file | Formula: - C17 H23 N3 O5 - Comments: Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters 3(18) (2001) 2911 Space group: P 1 21/n 1 Cell volume: 1795 Cell parameters: 7.926; 8.64; 26.257; 90; 93.35; 90; |
| COD ID: 1507525 | |
| CIF file | Formula: - C14 H21 N3 O5 - Comments: Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters 3(18) (2001) 2911 Space group: P 21 21 21 Cell volume: 1586.78 Cell parameters: 6.563; 10.748; 22.495; 90; 90; 90; |
| COD ID: 1507526 | |
| CIF file | Formula: - C20 H25 F3 N2 O8 - Comments: Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters 3(18) (2001) 2911 Space group: C 1 2/c 1 Cell volume: 4619 Cell parameters: 29.928; 9.445; 18.951; 90; 120.43; 90; |
| COD ID: 1507527 | |
| CIF file | Formula: - C11 H15 Br O4 - Comments: Runcie, Karen A.; Taylor, Richard J. K. A Short and Efficient Route to Novel Scyphostatin Analogues Organic Letters 3(21) (2001) 3237 Space group: P 1 21/n 1 Cell volume: 1212 Cell parameters: 12.541; 8.7123; 12.566; 90; 118.02; 90; |
| COD ID: 1507528 | |
| CIF file | Formula: - C18 H20 - Comments: Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters 3(21) (2001) 3305 Space group: P 1 21/n 1 Cell volume: 680.5 Cell parameters: 7.069; 18.263; 5.618; 90; 110.236; 90; |
| COD ID: 1507529 | |
| CIF file | Formula: - C22 H24 - Comments: Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters 3(21) (2001) 3305 Space group: P 3 1 c Cell volume: 2448.2 Cell parameters: 18.995; 18.995; 7.835; 90; 90; 120; |
| COD ID: 1507530 | |
| CIF file | Formula: - C30 H34 N2 O5 - Comments: Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters 3(20) (2001) 3217 Space group: P 1 21/n 1 Cell volume: 2531.9 Cell parameters: 12.5856; 9.9628; 20.218; 90; 92.877; 90; |
| COD ID: 1507531 | |
| CIF file | Formula: - C30 H34 N2 O5 - Comments: Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters 3(20) (2001) 3217 Space group: P -1 Cell volume: 1310.08 Cell parameters: 8.6581; 9.705; 16.1393; 100.945; 94.908; 97.909; |
| COD ID: 1507532 | |
| CIF file | Formula: - C18 H18 N2 O2 - Comments: Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters 3(24) (2001) 3835 Space group: P -1 Cell volume: 786.7 Cell parameters: 7.7074; 9.146; 11.804; 87.94; 86.55; 71.33; |
| COD ID: 1507533 | |
| CIF file | Formula: - C18 H17 Cl N2 O2 - Comments: Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters 3(24) (2001) 3835 Space group: P 1 21/n 1 Cell volume: 1610 Cell parameters: 9.512; 10.731; 16.012; 90; 99.919; 90; |
| COD ID: 1507534 | |
| CIF file | Formula: - C36 H32 Cl4 N4 O4 - Comments: Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters 3(24) (2001) 3835 Space group: P 1 21/n 1 Cell volume: 1711.1 Cell parameters: 9.254; 11.684; 15.949; 90; 97.13; 90; |
| COD ID: 1507535 | |
| CIF file | Formula: - C26 H28 Cr O5 Si - Comments: Moser, William H.; Sun, Liangdong; Huffman, John C. Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration Organic Letters 3(21) (2001) 3389 Space group: P 1 21/n 1 Cell volume: 2476.78 Cell parameters: 6.5976; 28.7405; 13.254; 90; 99.7669; 90; |
| COD ID: 1507536 | |
| CIF file | Formula: - C17 H21 N O4 S - Comments: Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A. 1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations Organic Letters 3(21) (2001) 3405 Space group: P b c a Cell volume: 3342.9 Cell parameters: 43.138; 9.07; 8.544; 90; 90; 90; |
| COD ID: 1507537 | |
| CIF file | Formula: - C10 H6 O S3 - Comments: Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W. A Novel Recyclable Sulfur Monoxide Transfer Reagent Organic Letters 3(22) (2001) 3565 Space group: P 21 21 21 Cell volume: 959.39 Cell parameters: 4.752; 13.15; 15.353; 90; 90; 90; |
| COD ID: 1507538 | |
| CIF file | Formula: - C62 H72 O Se - Comments: Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase Organic Letters 3(22) (2001) 3569 Space group: P -1 Cell volume: 5086.4 Cell parameters: 15.356; 18.983; 19.335; 87.445; 78.993; 66.908; |
| COD ID: 1507539 | |
| CIF file | Formula: - C11 H10 O4 - Comments: Parker, Kathlyn A.; Mindt, Thomas L. Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis Organic Letters 3(24) (2001) 3875 Space group: P 1 21/n 1 Cell volume: 968.7 Cell parameters: 7.0591; 7.3739; 18.791; 90; 97.983; 90; |
| COD ID: 1507540 | |
| CIF file | Formula: - C26 H36 N2 O2 - Comments: Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H. Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides Organic Letters 3(26) (2001) 4133 Space group: P 1 21/n 1 Cell volume: 4879.56 Cell parameters: 13.5; 14.009; 25.886; 90; 94.64; 90; |
| COD ID: 1507541 | |
| CIF file | Formula: - C18 H24 N2 O5 - Comments: Grossman, Robert B.; Rasne, Ravindra M. Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation Organic Letters 3(25) (2001) 4027 Space group: P 1 21/n 1 Cell volume: 1886.7 Cell parameters: 11.758; 12.186; 13.172; 90; 91.495; 90; |
| COD ID: 1507542 | |
| CIF file | Formula: - C11 H13 N5 O - Comments: Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W. A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine Organic Letters 3(24) (2001) 3887 Space group: P -1 Cell volume: 1164 Cell parameters: 7.636; 11.124; 14.903; 71.179; 79.323; 78.471; |
| COD ID: 1507543 | |
| CIF file | Formula: - C12 H14 N2 O6 S - Comments: Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters 3(26) (2001) 4247 Space group: C 1 2/c 1 Cell volume: 1368.02 Cell parameters: 14.8775; 8.8583; 11.1192; 90; 111.004; 90; |
| COD ID: 1507544 | |
| CIF file | Formula: - C25 H45 N3 O4 S - Comments: Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters 3(26) (2001) 4247 Space group: P 1 21 1 Cell volume: 1328.14 Cell parameters: 8.3003; 13.8825; 11.6167; 90; 97.16; 90; |
| COD ID: 1507545 | |
| CIF file | Formula: - C16 H22 N2 O6 S - Comments: Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters 3(26) (2001) 4247 Space group: P 1 21/a 1 Cell volume: 1859.8 Cell parameters: 14.1; 11.223; 11.773; 90; 93.343; 90; |
| COD ID: 1507928 | |
| CIF file | Formula: - C44 H35 Cl Fe Ir N O4 P2 - Comments: Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry 3(4) (2011) 287-290 Space group: P n a 21 Cell volume: 7305.8 Cell parameters: 17.8247; 11.4245; 35.8766; 90; 90; 90; |
| COD ID: 1507929 | |
| CIF file | Formula: - C33 H26 Cl2 O6 S2 - Comments: Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis. Nature chemistry 3(4) (2011) 331-335 Space group: C 1 c 1 Cell volume: 1565.7 Cell parameters: 14.755; 14.831; 7.1877; 90; 95.469; 90; |
| COD ID: 1507930 | |
| CIF file | Formula: - C60 H68 Cu6 O52 - Comments: Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E. Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework. Nature chemistry 3(4) (2011) 304-310 Space group: P -3 m 1 Cell volume: 2058.2 Cell parameters: 18.65; 18.65; 6.8329; 90; 90; 120; |
| COD ID: 1507931 | |
| CIF file | Formula: - C69 H86 Cl6 N4 P4 Si4 U2 - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: P -1 Cell volume: 1930 Cell parameters: 12.3462; 13.0526; 13.5703; 106.254; 101.926; 105.292; |
| COD ID: 1507932 | |
| CIF file | Formula: - C77 H100 Cl4 N4 O2 P4 Si4 U2 - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: P -1 Cell volume: 2106.7 Cell parameters: 10.8234; 11.895; 16.7711; 91.171; 94.744; 101.546; |
| COD ID: 1507933 | |
| CIF file | Formula: - C83 H100 I4 N4 P4 Si4 U2 - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: C 1 2/c 1 Cell volume: 8353 Cell parameters: 35.693; 12.776; 21.448; 90; 121.351; 90; |
| COD ID: 1507934 | |
| CIF file | Formula: - C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: F d d 2 Cell volume: 17810 Cell parameters: 17.3132; 27.8758; 36.903; 90; 90; 90; |
| COD ID: 1507935 | |
| CIF file | Formula: - C56 H71 I2 N2 O P2 Si2 U - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: P -1 Cell volume: 2537.7 Cell parameters: 9.836; 12.37; 22.185; 74.697; 78.713; 81.039; |
| COD ID: 1507936 | |
| CIF file | Formula: - C39 H55 Cl3 N2 O2 P2 Si2 U - Comments: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry 3(6) (2011) 454-460 Space group: P -1 Cell volume: 2136.4 Cell parameters: 10.399; 12.5771; 17.9435; 85.865; 84.843; 66.167; |
| COD ID: 1507937 | |
| CIF file | Formula: - C16 H36 Au Cl4 N - Comments: Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D. Core@shell bimetallic nanoparticle synthesis via anion coordination. Nature chemistry 3(6) (2011) 478-483 Space group: P 1 21/n 1 Cell volume: 2253.84 Cell parameters: 14.7634; 8.8165; 18.114; 90; 107.073; 90; |
| COD ID: 1507938 | |
| CIF file | Formula: - C32 H72 Cl6 N2 Pd2 - Comments: Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D. Core@shell bimetallic nanoparticle synthesis via anion coordination. Nature chemistry 3(6) (2011) 478-483 Space group: P -1 Cell volume: 2146.14 Cell parameters: 10.9999; 11.9542; 17.7219; 91.4858; 103.352; 107.87; |
| COD ID: 1507939 | |
| CIF file | Formula: - C45 H39 Cl N2 O7 - Comments: Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst. Nature chemistry 3(6) (2011) 473-477 Space group: P 1 21 1 Cell volume: 1822.2 Cell parameters: 9.7093; 11.9854; 15.6951; 90; 93.883; 90; |
| COD ID: 1507940 | |
| CIF file | Formula: - C36 H29 Cl N2 O6 - Comments: Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst. Nature chemistry 3(6) (2011) 473-477 Space group: P 1 21 1 Cell volume: 3061 Cell parameters: 9.4062; 27.3462; 12.0053; 90; 97.589; 90; |
| COD ID: 1507941 | |
| CIF file | Formula: - C35 H50 O10 Si2 - Comments: Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki Total synthesis of solanoeclepin A. Nature chemistry 3(6) (2011) 484-488 Space group: P 43 21 2 Cell volume: 7521.5 Cell parameters: 16.4998; 16.4998; 27.6279; 90; 90; 90; |
| COD ID: 1507942 | |
| CIF file | Formula: - C20 H44 N2 P2 Ru - Comments: Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand. Nature chemistry 3(7) (2011) 532-537 Space group: P 1 21/c 1 Cell volume: 2394.88 Cell parameters: 8.433; 21.6173; 13.7382; 90; 107.011; 90; |
| COD ID: 1507943 | |
| CIF file | Formula: - C30 H60 N2 O4 P2 Ru - Comments: Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand. Nature chemistry 3(7) (2011) 532-537 Space group: P 1 21/c 1 Cell volume: 3445.9 Cell parameters: 8.4996; 21.0038; 19.3021; 90; 90.1511; 90; |
| COD ID: 1507944 | |
| CIF file | Formula: - C60 H144 Gd2 K N6 O12 Si8 - Comments: Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R. Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes. Nature chemistry 3(7) (2011) 538-542 Space group: P -1 Cell volume: 2153.1 Cell parameters: 10.4307; 13.7396; 16.9587; 70.6501; 77.8476; 70.9419; |
| COD ID: 1507945 | |
| CIF file | Formula: - C52 H128 Dy2 K N6 O10 Si8 - Comments: Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R. Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes. Nature chemistry 3(7) (2011) 538-542 Space group: P -1 Cell volume: 1953.99 Cell parameters: 10.2002; 13.9169; 14.9513; 83.367; 74.6788; 72.8161; |
| COD ID: 1507946 | |
| CIF file | Formula: - C56 H48.2 Mn2 N24 Nb O8.2 - Comments: Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko Light-induced spin-crossover magnet. Nature chemistry 3(7) (2011) 564-569 Space group: I 41/a :2 Cell volume: 6351.5 Cell parameters: 20.5155; 20.5155; 15.0907; 90; 90; 90; |
| COD ID: 1507947 | |
| CIF file | Formula: - C56 Fe2 N24 Nb O10 - Comments: Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko Light-induced spin-crossover magnet. Nature chemistry 3(7) (2011) 564-569 Space group: I 41/a :2 Cell volume: 6102.9 Cell parameters: 20.2001; 20.2001; 14.9565; 90; 90; 90; |
| COD ID: 1507948 | |
| CIF file | Formula: - C37 H38 Cl F6 N4 O P3 Rh - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: P -1 Cell volume: 1955.6 Cell parameters: 9.586; 12.425; 17.906; 104.92; 91.5; 107.28; |
| COD ID: 1507949 | |
| CIF file | Formula: - C24 H52.33 Br Cl2 N5 O2.33 P2 Ru - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: R 3 :H Cell volume: 7787 Cell parameters: 28.71; 28.71; 10.909; 90; 90; 120; |
| COD ID: 1507950 | |
| CIF file | Formula: - C36 H32 Cl4 F6 N3 O P3 Rh - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: P 1 21/a 1 Cell volume: 4019.4 Cell parameters: 14.09; 18.71; 15.558; 90; 101.48; 90; |
| COD ID: 1507951 | |
| CIF file | Formula: - C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: C 1 2/c 1 Cell volume: 12780 Cell parameters: 48.783; 16.309; 16.08; 90; 92.627; 90; |
| COD ID: 1507952 | |
| CIF file | Formula: - C7 H12 Br2 N4 O - Comments: Cakmak, Mesut; Mayer, Peter; Trauner, Dirk An efficient synthesis of loline alkaloids. Nature chemistry 3(7) (2011) 543-545 Space group: P 21 21 21 Cell volume: 1092.64 Cell parameters: 7.1086; 12.1687; 12.6313; 90; 90; 90; |
| COD ID: 1507953 | |
| CIF file | Formula: - C16 H20 N4 O5 S - Comments: Cakmak, Mesut; Mayer, Peter; Trauner, Dirk An efficient synthesis of loline alkaloids. Nature chemistry 3(7) (2011) 543-545 Space group: P 21 21 21 Cell volume: 1762.12 Cell parameters: 6.333; 10.3246; 26.9497; 90; 90; 90; |
| COD ID: 1507954 | |
| CIF file | Formula: - C8 H12 N2 O3 - Comments: Cakmak, Mesut; Mayer, Peter; Trauner, Dirk An efficient synthesis of loline alkaloids. Nature chemistry 3(7) (2011) 543-545 Space group: P 1 21 1 Cell volume: 396.41 Cell parameters: 6.5187; 8.6895; 7.0751; 90; 98.453; 90; |
| COD ID: 1507955 | |
| CIF file | Formula: - C27 H42 I2 O8 Si - Comments: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E. Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities. Nature chemistry 3(8) (2011) 615-619 Space group: P 21 21 21 Cell volume: 3100.3 Cell parameters: 10.1997; 12.253; 24.807; 90; 90; 90; |
| COD ID: 1507956 | |
| CIF file | Formula: - C31 H50 Cl2 O8 Si - Comments: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E. Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities. Nature chemistry 3(8) (2011) 615-619 Space group: P 1 21 1 Cell volume: 3442.21 Cell parameters: 13.7487; 13.6316; 18.3824; 90; 92.377; 90; |
| COD ID: 1507957 | |
| CIF file | Formula: - C33 H47 Br O6 Si - Comments: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E. Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities. Nature chemistry 3(8) (2011) 615-619 Space group: P 43 21 2 Cell volume: 6717.2 Cell parameters: 10.018; 10.018; 66.931; 90; 90; 90; |
| COD ID: 1507958 | |
| CIF file | Formula: - C33 H47 Br O8 Si - Comments: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E. Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities. Nature chemistry 3(8) (2011) 615-619 Space group: P 21 21 21 Cell volume: 3460.7 Cell parameters: 10.5239; 14.5191; 22.649; 90; 90; 90; |
| COD ID: 1507959 | |
| CIF file | Formula: - C40 H30 B Cl F12 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 4014.78 Cell parameters: 16.4546; 14.6655; 16.651; 90; 92.343; 90; |
| COD ID: 1507960 | |
| CIF file | Formula: - C32 H50 B22 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 4784.3 Cell parameters: 13.2738; 18.9981; 19.6952; 90; 105.576; 90; |
| COD ID: 1507961 | |
| CIF file | Formula: - C69 H110 B44 Cl10 F16 P4 Pt2 S4 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 11235.3 Cell parameters: 13.1494; 36.1583; 23.7534; 90; 95.836; 90; |
| COD ID: 1507962 | |
| CIF file | Formula: - C33 H51 B22 Cl2 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21 1 Cell volume: 5134.45 Cell parameters: 13.5537; 19.4743; 19.6358; 90; 97.836; 90; |
| COD ID: 1507963 | |
| CIF file | Formula: - C39 H64 B22 Cl6 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/c 1 Cell volume: 11755.6 Cell parameters: 26.1737; 19.4713; 26.191; 90; 118.272; 90; |
| COD ID: 1507964 | |
| CIF file | Formula: - C38 H50 B2 Cl4 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P -1 Cell volume: 2199.22 Cell parameters: 12.1925; 12.9626; 15.407; 84.221; 72.108; 71.635; |
| COD ID: 1507965 | |
| CIF file | Formula: - C50 H62 B2 Cl4 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P -1 Cell volume: 5318 Cell parameters: 13.2826; 18.4796; 23.5694; 110.442; 99.975; 91.216; |
| COD ID: 1507966 | |
| CIF file | Formula: - C44 H46 B2 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P -1 Cell volume: 4630.74 Cell parameters: 12.6691; 19.7198; 19.9223; 93.78; 107.622; 100.194; |
| COD ID: 1507967 | |
| CIF file | Formula: - C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21 1 Cell volume: 4202.5 Cell parameters: 9.4556; 18.6226; 24.1172; 90; 98.277; 90; |
| COD ID: 1507968 | |
| CIF file | Formula: - C41 H32 B2 Cl2 F16 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 2/n 1 Cell volume: 2197.3 Cell parameters: 10.9643; 14.7439; 13.67; 90; 96.109; 90; |
| COD ID: 1507969 | |
| CIF file | Formula: - C16 H25 B10 P S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/c 1 Cell volume: 2139.44 Cell parameters: 6.8212; 17.6275; 17.9702; 90; 98.053; 90; |
| COD ID: 1507970 | |
| CIF file | Formula: - C16 H25 B10 P S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 2122.2 Cell parameters: 10.5592; 14.1502; 14.2279; 90; 93.374; 90; |
| COD ID: 1507971 | |
| CIF file | Formula: - C18 H29 B10 P S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 2372.34 Cell parameters: 9.5269; 13.5196; 18.9816; 90; 103.987; 90; |
| COD ID: 1507972 | |
| CIF file | Formula: - C16 H25 B10 Cl2 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 2351.47 Cell parameters: 12.3211; 13.5986; 14.9381; 90; 110.031; 90; |
| COD ID: 1507973 | |
| CIF file | Formula: - C16 H25 B10 Cl2 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P n a 21 Cell volume: 2390.81 Cell parameters: 14.2619; 11.1469; 15.0388; 90; 90; 90; |
| COD ID: 1507974 | |
| CIF file | Formula: - C20 H34 B10 Cl2 O0.5 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/c 1 Cell volume: 2905.39 Cell parameters: 9.6308; 21.48; 14.1467; 90; 96.8895; 90; |
| COD ID: 1507975 | |
| CIF file | Formula: - C24 H29 Cl2 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/n 1 Cell volume: 2292.9 Cell parameters: 11.897; 13.9412; 14.7305; 90; 110.2; 90; |
| COD ID: 1507976 | |
| CIF file | Formula: - C22.5 H24 Cl3 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 21/c 1 Cell volume: 2299.59 Cell parameters: 11.574; 13.787; 14.616; 90; 99.605; 90; |
| COD ID: 1507977 | |
| CIF file | Formula: - C20 H37 N2 O P Ru - Comments: Balaraman, Ekambaram; Gunanathan, Chidambaram; Zhang, Jing; Shimon, Linda J. W.; Milstein, David Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO2 and CO. Nature chemistry 3(8) (2011) 609-614 Space group: P 1 21/n 1 Cell volume: 2166 Cell parameters: 12.71; 13.992; 12.838; 90; 108.43; 90; |
| COD ID: 1507978 | |
| CIF file | Formula: - C30 H35 Cl N4 O4 - Comments: Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis. Nature chemistry 3(8) (2011) 642-646 Space group: P 1 21 1 Cell volume: 1458.93 Cell parameters: 9.48719; 12.8846; 12.0111; 90; 96.4486; 90; |
| COD ID: 1507979 | |
| CIF file | Formula: - C7 H22 F18 N3 O6 V7 - Comments: Aidoudi, Farida H.; Aldous, David W.; Goff, Richard J.; Slawin, Alexandra M. Z.; Attfield, J. Paul; Morris, Russell E.; Lightfoot, Philip An ionothermally prepared S = 1/2 vanadium oxyfluoride kagome lattice. Nature chemistry 3(10) (2011) 801-806 Space group: R -3 m :H Cell volume: 2024.2 Cell parameters: 7.354; 7.354; 43.22; 90; 90; 120; |
| COD ID: 1507980 | |
| CIF file | Formula: - C246 H375 Cl3 Fe N51 Na O52 - Comments: Ousaka, Naoki; Takeyama, Yuki; Iida, Hiroki; Yashima, Eiji Chiral information harvesting in dendritic metallopeptides. Nature chemistry 3(11) (2011) 856-861 Space group: P 21 21 21 Cell volume: 28778 Cell parameters: 19.1682; 36.703; 40.905; 90; 90; 90; |
| COD ID: 1507981 | |
| CIF file | Formula: - C65 H118 Dy4 Mo Si4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7307.8 Cell parameters: 13.2633; 30.498; 18.0731; 90; 91.588; 90; |
| COD ID: 1507982 | |
| CIF file | Formula: - C65 H116 Dy4 Mo Si4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7280 Cell parameters: 13.2652; 30.812; 17.8231; 90; 92.078; 90; |
| COD ID: 1507983 | |
| CIF file | Formula: - C65 H118 Ho4 Mo Si4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7269 Cell parameters: 13.2501; 30.326; 18.0991; 90; 91.819; 90; |
| COD ID: 1507984 | |
| CIF file | Formula: - C65 H116 Ho4 Mo Si4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7281.2 Cell parameters: 13.2847; 30.691; 17.87; 90; 92.072; 90; |
| COD ID: 1507985 | |
| CIF file | Formula: - C61 H119 Mo P Si4 Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7639.7 Cell parameters: 13.8691; 22.8409; 24.1291; 90; 91.841; 90; |
| COD ID: 1507986 | |
| CIF file | Formula: - C61 H119 P Si4 W Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7849.7 Cell parameters: 14.0625; 23.1646; 24.1202; 90; 92.501; 90; |
| COD ID: 1507987 | |
| CIF file | Formula: - C64 H126 P Si4 W Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P -1 Cell volume: 3690.9 Cell parameters: 13.4105; 14.0678; 22.368; 95.1377; 92.0563; 118.155; |
| COD ID: 1507988 | |
| CIF file | Formula: - C64 H124 Mo Si4 Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7402.8 Cell parameters: 13.5989; 30.857; 17.665; 90; 92.951; 90; |
| COD ID: 1507989 | |
| CIF file | Formula: - C64 H124 Si4 W Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7385.3 Cell parameters: 13.5822; 30.8031; 17.6738; 90; 92.814; 90; |
| COD ID: 1507990 | |
| CIF file | Formula: - C64 H124 Si4 W Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7322.8 Cell parameters: 13.2794; 30.4306; 18.1306; 90; 91.851; 90; |
| COD ID: 1507991 | |
| CIF file | Formula: - C64 H118 Si4 W Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/c 1 Cell volume: 7513.1 Cell parameters: 13.7848; 20.179; 27.0183; 90; 91.457; 90; |
| COD ID: 1507992 | |
| CIF file | Formula: - C65 H116 Mo Si4 Y4 - Comments: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature chemistry 3(10) (2011) 814-820 Space group: P 1 21/n 1 Cell volume: 7303.2 Cell parameters: 13.292; 30.7831; 17.8644; 90; 92.393; 90; |
| COD ID: 1507993 | |
| CIF file | Formula: - C20 H26 B2 N2 O4 - Comments: Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G. Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds. Nature chemistry 3(11) (2011) 894-899 Space group: P 1 21 1 Cell volume: 1033.11 Cell parameters: 10.05; 10.1301; 10.2065; 90; 96.154; 90; |
| COD ID: 1507994 | |
| CIF file | Formula: - C26 H29 B2 Br N2 O4 - Comments: Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G. Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds. Nature chemistry 3(11) (2011) 894-899 Space group: P 1 Cell volume: 1286.8 Cell parameters: 9.058; 9.824; 14.734; 98.499; 96.322; 92.204; |
| COD ID: 1507995 | |
| CIF file | Formula: - C30 H38 O4 - Comments: Biber, Nicole; Möws, Katrin; Plietker, Bernd The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A. Nature chemistry 3(12) (2011) 938-942 Space group: P 1 21/c 1 Cell volume: 2599.7 Cell parameters: 14.2028; 8.4774; 22.6154; 90; 107.307; 90; |
| COD ID: 1507996 | |
| CIF file | Formula: - C30 H22 F2 N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P -1 Cell volume: 1773.2 Cell parameters: 11.828; 12.398; 13.938; 85.265; 69.159; 68.396; |
| COD ID: 1507997 | |
| CIF file | Formula: - C32.5 H27 Cl5 N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3242.4 Cell parameters: 11.3484; 16.5864; 17.37; 90; 97.391; 90; |
| COD ID: 1507998 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3162.2 Cell parameters: 11.2537; 16.3457; 17.331; 90; 97.294; 90; |
| COD ID: 1507999 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3236.1 Cell parameters: 11.3423; 16.545; 17.388; 90; 97.364; 90; |
| COD ID: 1508000 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3256.8 Cell parameters: 11.3622; 16.569; 17.444; 90; 97.382; 90; |
| COD ID: 1508001 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3277 Cell parameters: 11.3819; 16.6013; 17.4899; 90; 97.441; 90; |
| COD ID: 1508002 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3295.6 Cell parameters: 11.395; 16.6424; 17.529; 90; 97.527; 90; |
| COD ID: 1508003 | |
| CIF file | Formula: - C32 H26 Cl4 F N2 O4 Pd2 - Comments: Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias Synthesis and structure of solution-stable one-dimensional palladium wires. Nature chemistry 3(12) (2011) 949-953 Space group: P 1 21/c 1 Cell volume: 3321.2 Cell parameters: 11.4138; 16.7; 17.58; 90; 97.639; 90; |
| COD ID: 1508145 | |
| CIF file | Formula: - C64 H64 Br2 O16 - Comments: Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo Redox-responsive molecular helices with highly condensed π-clouds. Nature chemistry 3(1) (2011) 68-73 Space group: P 1 21/n 1 Cell volume: 5532.6 Cell parameters: 14.6299; 22.0132; 17.1801; 90; 90.557; 90; |
| COD ID: 1508146 | |
| CIF file | Formula: - C71 H74.5 N5.5 O20 - Comments: Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo Redox-responsive molecular helices with highly condensed π-clouds. Nature chemistry 3(1) (2011) 68-73 Space group: C 1 2 1 Cell volume: 6615.1 Cell parameters: 26.465; 13.3084; 20.9193; 90; 116.126; 90; |
| COD ID: 1508147 | |
| CIF file | Formula: - C69 H71.5 F6 N4.5 O20 Sb - Comments: Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo Redox-responsive molecular helices with highly condensed π-clouds. Nature chemistry 3(1) (2011) 68-73 Space group: P 1 21/c 1 Cell volume: 6932.65 Cell parameters: 12.6264; 22.3733; 25.1262; 90; 102.392; 90; |
| COD ID: 1508152 | |
| CIF file | Formula: - C23.75 H44.5 Cl4.5 Mo N P2 - Comments: Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia. Nature chemistry 3(2) (2011) 120-125 Space group: C 1 2 1 Cell volume: 6855.1 Cell parameters: 28.6387; 14.9963; 19.6011; 90; 125.48; 90; |
| COD ID: 1508153 | |
| CIF file | Formula: - C52 H100 Mo2 N12 P4 - Comments: Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia. Nature chemistry 3(2) (2011) 120-125 Space group: R -3 c :H Cell volume: 27833.1 Cell parameters: 36.3354; 36.3354; 24.3428; 90; 90; 120; |
| COD ID: 1508154 | |
| CIF file | Formula: - C56 H100 Mo2 N4 O4 P4 - Comments: Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia. Nature chemistry 3(2) (2011) 120-125 Space group: R -3 c :H Cell volume: 27786.7 Cell parameters: 36.1127; 36.1127; 24.6029; 90; 90; 120; |
| COD ID: 1508155 | |
| CIF file | Formula: - C31 H53 B F5 Mo N4 P2 - Comments: Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia. Nature chemistry 3(2) (2011) 120-125 Space group: C 1 2/c 1 Cell volume: 7388.2 Cell parameters: 34.4412; 11.1522; 20.6925; 90; 111.63; 90; |
| COD ID: 1508157 | |
| CIF file | Formula: - C19 H29 Br O3 - Comments: Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang Activating efficient phosphorescence from purely organic materials by crystal design. Nature chemistry 3(3) (2011) 205-210 Space group: P -1 Cell volume: 934 Cell parameters: 9.5083; 9.6863; 10.9481; 68.563; 85.847; 84.917; |
| COD ID: 1508159 | |
| CIF file | Formula: - C18 H28 Br2 O2 - Comments: Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang Activating efficient phosphorescence from purely organic materials by crystal design. Nature chemistry 3(3) (2011) 205-210 Space group: P -1 Cell volume: 471.2 Cell parameters: 6.8032; 8.117; 9.659; 108.27; 106.91; 96.94; |
| COD ID: 1509054 | |
| CIF file | Formula: - Ag0.9 S4 Y0.9 Zr1.1 - Comments: Trichet, L.; Louisy, A.; Chevalier, P.; Rouxel, J. Les phases Agx Mx Zr1-x S2 (M= In, Y) Annales de Chimie (Paris) 3 (1978) 453-459 Space group: F d -3 m :1 Cell volume: 1333.18 Cell parameters: 11.006; 11.006; 11.006; 90; 90; 90; |
| COD ID: 1509239 | |
| CIF file | Formula: - Ag Bi S Se - Comments: Glatz, A.C.; Pinella, A. X-ray and neutron diffraction studies of the high-temperature beta-phase of the Ag Bi Se2 / Ag Bi S2 system Journal of Materials Science 3 (1968) 498-501 Space group: F m -3 m Cell volume: 189.119 Cell parameters: 5.74; 5.74; 5.74; 90; 90; 90; |
| COD ID: 1509240 | |
| CIF file | Formula: - Ag Bi S1.5 Se0.5 - Comments: Glatz, A.C.; Pinella, A. X-ray and neutron-diffraction studies of the high-temperature beta-phase of the Ag Bi Se2 / Ag Bi S2 system Journal of Materials Science 3 (1968) 498-501 Space group: F m -3 m Cell volume: 184.706 Cell parameters: 5.695; 5.695; 5.695; 90; 90; 90; |
| COD ID: 1509242 | |
| CIF file | Formula: - Ag Bi Se2 - Comments: Zhuze, V.P.; Shtrum, E.L.; Sergeeva, V.M. Semiconducting compounds with the general formula ABX2 Soviet physics - Technical physics 3 (1958) 1925-1938 Space group: F m -3 m Cell volume: 186.169 Cell parameters: 5.71; 5.71; 5.71; 90; 90; 90; |
| COD ID: 1509247 | |
| CIF file | Formula: - C20 H24 Cl F18 I2 K O6 - Comments: Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan Transmembrane anion transport mediated by halogen-bond donors. Nature communications 3 (2012) 905 Space group: C 1 2/c 1 Cell volume: 3320.8 Cell parameters: 28.8921; 9.781; 12.2102; 90; 105.762; 90; |
| COD ID: 1509248 | |
| CIF file | Formula: - C18 H24 F14 I3 K O6 - Comments: Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan Transmembrane anion transport mediated by halogen-bond donors. Nature Communications 3 (2012) 905 Space group: C 1 2/c 1 Cell volume: 3195.8 Cell parameters: 27.7056; 9.6249; 12.2412; 90; 101.759; 90; |
| COD ID: 1509249 | |
| CIF file | Formula: - C12 H28 Cl K O8 - Comments: Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan Transmembrane anion transport mediated by halogen-bond donors. Nature Communications 3 (2012) 905 Space group: P 1 21/m 1 Cell volume: 1773.4 Cell parameters: 9.782; 14.983; 12.1152; 90; 92.886; 90; |
| COD ID: 1509398 | |
| CIF file | Formula: - Ag In O8 W2 - Comments: Okunera, A.S.; Pakhomov, V.I.; Sorokina, O.V.; Fedorov, P.M. Structure and elastic properties of Ag In (W O4)2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 3 (1977) 765-767 Space group: P 1 2/c 1 Cell volume: 310.704 Cell parameters: 10.44; 5.87; 5.07; 90; 90; 90; |
| COD ID: 1509464 | |
| CIF file | Formula: - Ag Mn6 O24 P7 - Comments: ElMaadi, A.; Bennazha, J.; Holt, E.M.; Boukhari, A. Identification of a new family of phosphate compounds, A(I) B(II)6 (P2 O7)2 P3 O10: structures of K Mn6 (P2 O7)2 P3 O10 and Ag Mn6 (P2 O7)2 P3 O10 Solid State Sciences 3 (2001) 587-592 Space group: P 1 21/m 1 Cell volume: 928.008 Cell parameters: 5.424; 26.97; 6.627; 90; 106.81; 90; |
| COD ID: 1509532 | |
| CIF file | Formula: - Ag Sb Se2 - Comments: Zhuze, V.P.; Shtrum, E.L.; Sergeeva, V.M. Semiconducting compounds with the general formula ABX2 Zhurnal Tekhnicheskoi Fiziki 3 (1958) 1925-1938 Space group: F m -3 m Cell volume: 189.119 Cell parameters: 5.74; 5.74; 5.74; 90; 90; 90; |
| COD ID: 1509534 | |
| CIF file | Formula: - Ag Sb Te2 - Comments: Zhuze, V.P.; Sergeeva, V.M.; Shtrum, E.L. New semiconductor compounds Soviet physics - Technical physics 3 (1958) 1925-1938 Space group: F m -3 m Cell volume: 222.545 Cell parameters: 6.06; 6.06; 6.06; 90; 90; 90; |
| COD ID: 1509691 | |
| CIF file | Formula: - Ag2 O2 Pd - Comments: Jansen, M.; Schreyer, M. Synthesis, structure and properties of Ag2 Pd O2 Solid State Sciences 3 (2001) 25-30 Space group: I m m m Cell volume: 135.621 Cell parameters: 4.55523; 3.00803; 9.8977; 90; 90; 90; |
| COD ID: 1509731 | |
| CIF file | Formula: - Ag2.236 Al3.8004 O29.4 Si8.1996 - Comments: Randaccio, L.; Nardin, G.; Calligaris, M. Cation site location in hydrated chabazites. Crystal structure of potassium- and silver-exchanged chabazites. Zeolites 3 (1983) 205-208 Space group: R -3 m :R Cell volume: 828.813 Cell parameters: 9.42; 9.42; 9.42; 94.2; 94.2; 94.2; |
| COD ID: 1509782 | |
| CIF file | Formula: - Ag2 Cr O4 - Comments: Jacobson, R.A.; Hackert, M.L. The Crystal Structure of Silver Chromate Journal of Solid State Chemistry 3 (1971) 364-368 Space group: P n m a Cell volume: 391.86 Cell parameters: 10.063; 7.029; 5.54; 90; 90; 90; |
| COD ID: 1509823 | |
| CIF file | Formula: - Ag3 Al12 Na6.6 O48 Si12 - Comments: Schoellner, R.; Gellens, L.R.; Uytterhoeven, J.B.; Mortier, W.J. Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K Zeolites 3 (1983) 149-154 Space group: P m -3 m Cell volume: 1812.72 Cell parameters: 12.193; 12.193; 12.193; 90; 90; 90; |
| COD ID: 1509953 | |
| CIF file | Formula: - Ag6.684 Ge I0.69 Se5 - Comments: Zerouale, A.; Belin, C.; Aldon, L.; Ribes, M.; Belin, R. Crystal structure of the non-stoichiometric argyrodite compound Ag(7-x) Ge Se5 I(1-x) (x = 0.31). A highly disordered silver superionic conducting material Solid State Sciences 3 (2001) 251-265 Space group: F -4 3 m Cell volume: 1302.53 Cell parameters: 10.921; 10.921; 10.921; 90; 90; 90; |
| COD ID: 1510048 | |
| CIF file | Formula: - Ag3.19 Al12 Na13.54 O48 Si12 - Comments: Uytterhoeven, J.B.; Gellens, L.R.; Schoellner, R.; Mortier, W.J. Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K Zeolites 3 (1983) 149-154 Space group: P m -3 m Cell volume: 1865.41 Cell parameters: 12.31; 12.31; 12.31; 90; 90; 90; |
| COD ID: 1510093 | |
| CIF file | Formula: - Au0.281 Fe0.06 Te0.659 - Comments: Newkirk, L.R.; Tsuei, C.C. Superconducting transition temperatures and lattice parameters of simple-cubic metastable Te-Au solutions containing Fe and Mn Physical Review, Serie 3. B - Solid State (1,1970-17,1977) 3 (1971) 755-761 Space group: P m -3 m Cell volume: 25.803 Cell parameters: 2.955; 2.955; 2.955; 90; 90; 90; |
| COD ID: 1510106 | |
| CIF file | Formula: - Au0.3 Mn0.02 Te0.68 - Comments: Tsuei, C.C.; Newkirk, L.R. Superconducting transition temperatures and lattice parameters of simple-cubic metastable Te-Au solutions containing Fe and Mn Physical Review, Serie 3. B - Solid State (1,1970-17,1977) 3 (1971) 755-761 Space group: P m -3 m Cell volume: 26.264 Cell parameters: 2.9725; 2.9725; 2.9725; 90; 90; 90; |
| COD ID: 1510132 | |
| CIF file | Formula: - Au Eu Sn - Comments: Mosel, B.D.; Muellmann, R.; Kotzyba, G.; Hoffmann, R.; Poettgen, R. A five-fold superstructure of the K Hg2-type, realized for the new stannide Eu Au Sn Chemistry - A European Journal 3 (1997) 1852-1859 Space group: I m m 2 Cell volume: 1506.26 Cell parameters: 4.791; 38.336; 8.201; 90; 90; 90; |
| COD ID: 1510258 | |
| CIF file | Formula: - Au0.5 Nb1.5 - Comments: Di, L.M.; Bakker, H. Mechanically induced phase transformation in the Nb3 Au intermetallic compound Journal of Physics: Condensed Matter 3 (1991) 9319-9326 Space group: I m -3 m Cell volume: 35.181 Cell parameters: 3.2767; 3.2767; 3.2767; 90; 90; 90; |
| COD ID: 1510457 | |
| CIF file | Formula: - Au2 Pb - Comments: Perlitz, H. The structure of the intermetallic compound Au2 Pb Strukturbericht 3 (1934) 612-612 Space group: F d -3 m :1 Cell volume: 498.112 Cell parameters: 7.927; 7.927; 7.927; 90; 90; 90; |
| COD ID: 1510705 | |
| CIF file | Formula: - B2 Gd Li3 O6 - Comments: Gravereau, P.; Chaminade, J.P.; Jubera, V. Crystal structure of the new borate Li3 Gd (B O3)2. Comparison withthe homologous Na3 Ln (B O3)2 (Ln: La, Nd) compounds Solid State Sciences 3 (2001) 469-475 Space group: P 1 21/c 1 Cell volume: 504.84 Cell parameters: 8.724; 6.425; 10.095; 90; 116.85; 90; |
| COD ID: 1510719 | |
| CIF file | Formula: - B2 In Li3 O6 - Comments: Nowogrocki, G.; Penin, N.; Touboul, M. Crystal structure of a new lithium indium borate Li3 In B2 O6 Solid State Sciences 3 (2001) 461-468 Space group: P 1 21/n 1 Cell volume: 464.366 Cell parameters: 5.168; 8.899; 10.099; 90; 91.112; 90; |
| COD ID: 1510831 | |
| CIF file | Formula: - B2 Sc - Comments: Shcherbak, I.A.; Shulishova, O.I. Superconductivity of the borides of transition and rare earth metals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 3 (1967) 1304-1306 Space group: P 6/m m m Cell volume: 30.248 Cell parameters: 3.15; 3.15; 3.52; 90; 90; 120; |
| COD ID: 1510843 | |
| CIF file | Formula: - B2 Ta - Comments: Kiessling, R. The borides of tantalum Acta Chemica Scandinavica (1-27,1973-42,1988) 3 (1949) 603-615 Space group: P 6/m m m Cell volume: 26.789 Cell parameters: 3.078; 3.078; 3.265; 90; 90; 120; |
| COD ID: 1511077 | |
| CIF file | Formula: - B0.16 Nb2 Ni - Comments: Kuz'ma, Yu.B.; Fedorov, T.F.; Sobolev, A.S. The system niobium - nickel - boron Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 3 (1967) 638-643 Space group: F d -3 m :1 Cell volume: 1566.15 Cell parameters: 11.613; 11.613; 11.613; 90; 90; 90; |
| COD ID: 1511179 | |
| CIF file | Formula: - B Hf - Comments: Shulishova, O.I.; Shcherbak, I.A. Superconductivity of the borides of transition and rare-earth metals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 3 (1967) 1304-1306 Space group: F m -3 m Cell volume: 98.611 Cell parameters: 4.62; 4.62; 4.62; 90; 90; 90; |
| COD ID: 1511517 | |
| CIF file | Formula: - B4 Ta3 - Comments: Kiessling, R. The borides of tantalum Acta Chemica Scandinavica (1-27,1973-42,1988) 3 (1949) 603-615 Space group: I m m m Cell volume: 144.168 Cell parameters: 3.29; 14; 3.13; 90; 90; 90; |
| COD ID: 1511559 | |
| CIF file | Formula: - B5.12 Nb64 Ni32 - Comments: Kuz'ma, Yu.B.; Sobolev, A.S.; Fedorov, T.F. The system niobium - nickel - boron Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 3 (1967) 561-565 Space group: F d -3 m :1 Cell volume: 1566.15 Cell parameters: 11.613; 11.613; 11.613; 90; 90; 90; |
| COD ID: 1511650 | |
| CIF file | Formula: - B66.8 O0.36 Th - Comments: Etourneau, J.; Naslain, R.; Kasper, J.S. Structure cristalline de la phase du system bore-thorium. Un nouveau borure a structure type Y B66 Journal of Solid State Chemistry 3 (1971) 101-111 Space group: F m -3 c Cell volume: 13027.6 Cell parameters: 23.53; 23.53; 23.53; 90; 90; 90; |
| COD ID: 1511702 | |
| CIF file | Formula: - B9 Ba Li O15 - Comments: Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1799.8 Cell parameters: 11.0223; 11.0223; 17.106; 90; 90; 120; |
| COD ID: 1511704 | |
| CIF file | Formula: - B9 Ba Na O15 - Comments: Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1853.54 Cell parameters: 11.0933; 11.0933; 17.392; 90; 90; 120; |
| COD ID: 1511710 | |
| CIF file | Formula: - B9 Li O15 Sr - Comments: Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1712.38 Cell parameters: 10.6129; 10.6129; 17.555; 90; 90; 120; |
| COD ID: 1514076 | |
| CIF file | Formula: - Li0.95 Mn2.06 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 558.68 Cell parameters: 8.2361; 8.2361; 8.2361; 90; 90; 90; |
| COD ID: 1514077 | |
| CIF file | Formula: - Li0.2 Mn1.9 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 530.7 Cell parameters: 8.096; 8.096; 8.096; 90; 90; 90; |
| COD ID: 1514078 | |
| CIF file | Formula: - Li0.65 Mn2.08 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 554 Cell parameters: 8.213; 8.213; 8.213; 90; 90; 90; |
| COD ID: 1514079 | |
| CIF file | Formula: - Li0.87 Mn1.98 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 563.2 Cell parameters: 8.258; 8.258; 8.258; 90; 90; 90; |
| COD ID: 1514080 | |
| CIF file | Formula: - Li0.6 Mn2.04 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 558.1 Cell parameters: 8.233; 8.233; 8.233; 90; 90; 90; |
| COD ID: 1514081 | |
| CIF file | Formula: - Li0.1 Mn2.048 O4 - Comments: Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 541.5 Cell parameters: 8.151; 8.151; 8.151; 90; 90; 90; |
| COD ID: 1514086 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 97.972 Cell parameters: 4.61; 4.61; 4.61; 90; 90; 90; |
| COD ID: 1514093 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 105.69 Cell parameters: 4.728; 4.728; 4.728; 90; 90; 90; |
| COD ID: 1514094 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 108.1 Cell parameters: 4.764; 4.764; 4.764; 90; 90; 90; |
| COD ID: 1514095 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 109.4 Cell parameters: 4.782; 4.782; 4.782; 90; 90; 90; |
| COD ID: 1514096 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 111.1 Cell parameters: 4.807; 4.807; 4.807; 90; 90; 90; |
| COD ID: 1514097 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 113.2 Cell parameters: 4.837; 4.837; 4.837; 90; 90; 90; |
| COD ID: 1514098 | |
| CIF file | Formula: - Li2 O - Comments: Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction. Journal of Physics: Condensed Matter 3 (1991) 4761-4781 Space group: F m -3 m Cell volume: 103.1 Cell parameters: 4.689; 4.689; 4.689; 90; 90; 90; |
| COD ID: 1514102 | |
| CIF file | Formula: - Mn O2 - Comments: Bystroem, A. M. The crystal structure of ramsdellite, an orthorhombic modification of Mn O2 Acta Chemica Scandinavica (1-27,1973-42,1988) 3 (1949) 163-173 Space group: P b n m Cell volume: 120.4 Cell parameters: 4.533; 9.27; 2.866; 90; 90; 90; |
| COD ID: 1514113 | |
| CIF file | Formula: - Mn2 O3 - Comments: Hase, W. Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3, Tm2 O3 und alpha-Mn2 O3 Physica Status Solidi 3 (1963) 446-449 Space group: I a -3 Cell volume: 838.562 Cell parameters: 9.43; 9.43; 9.43; 90; 90; 90; |
| COD ID: 1514227 | |
| CIF file | Formula: - Mn O2 - Comments: Bystroem, A. M. The crystal structure of ramsdellite, an orthorhombic modification of Mn O2 Acta Chemica Scandinavica (1-27,1973-42,1988) 3 (1949) 163-173 Space group: P n m a Cell volume: 120.4 Cell parameters: 9.27; 2.866; 4.533; 90; 90; 90; |
| COD ID: 1514233 | |
| CIF file | Formula: - Mn2.03 O4 - Comments: Monge, M. A.; Angeles Monge, M.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem 3(4) (2002) 367-370 Space group: F d -3 m :2 Cell volume: 530.93 Cell parameters: 8.0974; 8.0974; 8.0974; 90; 90; 90; |
| COD ID: 1514934 | |
| CIF file | Formula: - C28 H24 - Comments: Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Deciphering mechanism of aggregation-induced emission (AIE): Is E–Z isomerisation involved in an AIE process? Chemical Science 3(2) (2012) 493 Space group: P 32 Cell volume: 4626.55 Cell parameters: 29.9106; 29.9106; 5.9714; 90; 90; 120; |
| COD ID: 1514935 | |
| CIF file | Formula: - C13 H14 Fe N5 O - Comments: Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science 3(2) (2012) 364 Space group: P -1 Cell volume: 1296 Cell parameters: 8.24; 9.982; 16.64; 82.977; 83.088; 73.325; |
| COD ID: 1514936 | |
| CIF file | Formula: - C13 H14 Co N5 O - Comments: Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science 3(2) (2012) 364 Space group: P 1 21/n 1 Cell volume: 1329.3 Cell parameters: 10.445; 11.723; 11.03; 90; 100.177; 90; |
| COD ID: 1514937 | |
| CIF file | Formula: - C68 H63 Fe3 N9 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P -1 Cell volume: 2763.3 Cell parameters: 11.805; 12.98; 19.363; 73.794; 86.132; 75.907; |
| COD ID: 1514938 | |
| CIF file | Formula: - C68 H63 Fe3 N9 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P -1 Cell volume: 2791.8 Cell parameters: 11.839; 13.026; 19.436; 73.818; 86.197; 75.893; |
| COD ID: 1514939 | |
| CIF file | Formula: - C68 H63 Fe3 N9 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P -1 Cell volume: 2804 Cell parameters: 11.8394; 13.037; 19.508; 73.852; 86.214; 75.811; |
| COD ID: 1514940 | |
| CIF file | Formula: - C68 H63 Fe3 N9 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P -1 Cell volume: 2850.3 Cell parameters: 11.888; 13.106; 19.649; 73.904; 86.251; 75.708; |
| COD ID: 1514941 | |
| CIF file | Formula: - C68 H63 Fe3 N9 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P -1 Cell volume: 2854.4 Cell parameters: 11.881; 13.093; 19.706; 73.971; 86.265; 75.654; |
| COD ID: 1514942 | |
| CIF file | Formula: - C60 H74 Fe3 N6 O4.75 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: C 1 2/c 1 Cell volume: 10991.6 Cell parameters: 21.1077; 15.5695; 33.842; 90; 98.773; 90; |
| COD ID: 1514943 | |
| CIF file | Formula: - C65 H69 Fe3 N6 P3 - Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407 Space group: P 1 21/c 1 Cell volume: 5483 Cell parameters: 12.403; 20.06; 22.036; 90; 90; 90; |
| COD ID: 1514944 | |
| CIF file | Formula: - C26 H25 F3 N2 O4 - Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537 Space group: P 21 21 21 Cell volume: 2420.39 Cell parameters: 8.6711; 9.4306; 29.5986; 90; 90; 90; |
| COD ID: 1514945 | |
| CIF file | Formula: - C31 H30 F3 N O6 S - Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537 Space group: P 1 21/c 1 Cell volume: 2902.67 Cell parameters: 11.9727; 24.2406; 10.481; 90; 107.399; 90; |
| COD ID: 1514946 | |
| CIF file | Formula: - C27 H27 F3 N2 O4 - Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537 Space group: P 1 21 1 Cell volume: 1236.6 Cell parameters: 10.8509; 9.3445; 12.7734; 90; 107.297; 90; |
| COD ID: 1514947 | |
| CIF file | Formula: - C32 H29 N O4 S - Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537 Space group: P 21 21 21 Cell volume: 2631.13 Cell parameters: 9.3165; 14.3322; 19.705; 90; 90; 90; |
| COD ID: 1514948 | |
| CIF file | Formula: - C44 H40 N4 Si - Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549 Space group: C 1 2/c 1 Cell volume: 3690.61 Cell parameters: 30.7917; 10.2374; 11.7082; 90; 90.481; 90; |
| COD ID: 1514949 | |
| CIF file | Formula: - C32 H26 O2 Si - Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549 Space group: P b c a Cell volume: 10399.9 Cell parameters: 21.7477; 13.4689; 35.5044; 90; 90; 90; |
| COD ID: 1514950 | |
| CIF file | Formula: - C54 H44 N2 Si - Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549 Space group: P 1 21/c 1 Cell volume: 4099.8 Cell parameters: 20.3587; 11.0369; 18.2729; 90; 93.111; 90; |
| COD ID: 1514951 | |
| CIF file | Formula: - C28 H42 F6 N O6 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: C 1 c 1 Cell volume: 3092.8 Cell parameters: 13.4798; 24.491; 11.104; 90; 122.469; 90; |
| COD ID: 1514952 | |
| CIF file | Formula: - C29 H44 F6 N O6 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: P 1 21/c 1 Cell volume: 3128.7 Cell parameters: 13.7552; 13.8563; 16.5085; 90; 96.093; 90; |
| COD ID: 1514953 | |
| CIF file | Formula: - C30 H46 F6 N O6 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: P 1 21/c 1 Cell volume: 3288 Cell parameters: 8.538; 33.09; 11.751; 90; 97.9; 90; |
| COD ID: 1514954 | |
| CIF file | Formula: - C30 H46 F6 N O7 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: P 1 21/c 1 Cell volume: 3280.1 Cell parameters: 8.702; 32.962; 11.4583; 90; 93.616; 90; |
| COD ID: 1514955 | |
| CIF file | Formula: - C29 H46 F6 N O6 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: P 1 21/c 1 Cell volume: 3234.5 Cell parameters: 15.9763; 13.6353; 15.3457; 90; 104.633; 90; |
| COD ID: 1514956 | |
| CIF file | Formula: - C30 H48 F6 N O7 P - Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425 Space group: P 1 21 1 Cell volume: 3380.9 Cell parameters: 8.3591; 33.576; 12.1989; 90; 99.083; 90; |
| COD ID: 1514957 | |
| CIF file | Formula: - C33 H16 O S4 - Comments: Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60 Chemical Science 3(2) (2012) 498 Space group: P -1 Cell volume: 1511.8 Cell parameters: 11.03; 12.159; 12.875; 112.013; 104.449; 96.026; |
| COD ID: 1514958 | |
| CIF file | Formula: - C48 H46 Br2 N4 O2 - Comments: Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science 3(2) (2012) 524 Space group: I 41/a c d :2 Cell volume: 33556 Cell parameters: 23.2637; 23.2637; 62.003; 90; 90; 90; |
| COD ID: 1514959 | |
| CIF file | Formula: - C54 H52 N4 O2 - Comments: Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science 3(2) (2012) 524 Space group: I -4 c 2 Cell volume: 4675 Cell parameters: 17.198; 17.198; 15.807; 90; 90; 90; |
| COD ID: 1514960 | |
| CIF file | Formula: - C26 H30 B2 F8 Fe N10 O2 - Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349 Space group: I 41/a :2 Cell volume: 6680.1 Cell parameters: 13.7494; 13.7494; 35.336; 90; 90; 90; |
| COD ID: 1514961 | |
| CIF file | Formula: - C26 H26 B2 F8 Fe N10 - Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349 Space group: P 42/n :2 Cell volume: 1680.51 Cell parameters: 9.7481; 9.7481; 17.6848; 90; 90; 90; |
| COD ID: 1514962 | |
| CIF file | Formula: - C26 H26 B2 F8 Fe N10 - Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349 Space group: P 42/n :2 Cell volume: 1719.47 Cell parameters: 9.8046; 9.8046; 17.8869; 90; 90; 90; |
| COD ID: 1514963 | |
| CIF file | Formula: - C14 H17 N5 O - Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349 Space group: P 21 21 21 Cell volume: 1453.76 Cell parameters: 10.064; 11.6546; 12.3944; 90; 90; 90; |
| COD ID: 1514964 | |
| CIF file | Formula: - C13 H12 B F2 N3 - Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610 Space group: P -1 Cell volume: 598.943 Cell parameters: 7.4169; 8.3781; 11.0339; 70.296; 73.131; 71.441; |
| COD ID: 1514965 | |
| CIF file | Formula: - C13 H9 B F2 N4 - Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610 Space group: P 1 21/c 1 Cell volume: 1218.2 Cell parameters: 12.6822; 6.9729; 13.8314; 90; 95.138; 90; |
| COD ID: 1514966 | |
| CIF file | Formula: - C14 H12 B F2 N3 O - Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610 Space group: P 1 21/c 1 Cell volume: 1306.1 Cell parameters: 13.589; 11.4482; 8.7135; 90; 105.519; 90; |
| COD ID: 1514967 | |
| CIF file | Formula: - C15 H14 B F2 N3 O2 - Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610 Space group: P 1 21/c 1 Cell volume: 1441.9 Cell parameters: 14.589; 11.456; 8.6272; 90; 90.271; 90; |
| COD ID: 1514968 | |
| CIF file | Formula: - C17 H11 B F2 N4 - Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610 Space group: P -1 Cell volume: 1477.3 Cell parameters: 7.7978; 8.4159; 25.529; 91.862; 95.446; 117.248; |
| COD ID: 1514969 | |
| CIF file | Formula: - C56 H48 Ag2 F12 N12 O4 P2 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 1 2/c 1 Cell volume: 3085 Cell parameters: 14.883; 11.843; 19.893; 90; 118.38; 90; |
| COD ID: 1514970 | |
| CIF file | Formula: - C56 H48 Ag2 B Cl F4 N12 O4 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 6 2 2 Cell volume: 5372.09 Cell parameters: 22.2009; 22.2009; 12.58554; 90; 90; 120; |
| COD ID: 1514971 | |
| CIF file | Formula: - C90 H84 Ag3 B3 F12 N18 O6 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 63 Cell volume: 4938.73 Cell parameters: 17.3366; 17.3366; 18.9739; 90; 90; 120; |
| COD ID: 1514972 | |
| CIF file | Formula: - C90 H84 Ag3 B3 F12 N18 O6 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 63 Cell volume: 4862.47 Cell parameters: 17.3399; 17.3399; 18.6738; 90; 90; 120; |
| COD ID: 1514973 | |
| CIF file | Formula: - C90 H84 Ag3 N18 O6 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 63 Cell volume: 4836.03 Cell parameters: 17.2761; 17.2761; 18.7097; 90; 90; 120; |
| COD ID: 1514974 | |
| CIF file | Formula: - C90 H84 Au3 B3 F12 N18 O6 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 63 Cell volume: 4943.53 Cell parameters: 17.4164; 17.4164; 18.8187; 90; 90; 120; |
| COD ID: 1514975 | |
| CIF file | Formula: - C71 H93 Ag3 Cl4 F12 N18 O8 P2 - Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359 Space group: P 1 Cell volume: 2128.75 Cell parameters: 12.6553; 13.0092; 15.1663; 104.239; 112.9; 99.765; |
| COD ID: 1514976 | |
| CIF file | Formula: - C16 H20 N2 O6 - Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584 Space group: P 21 21 21 Cell volume: 1655.88 Cell parameters: 7.95486; 10.00542; 20.80472; 90; 90; 90; |
| COD ID: 1514977 | |
| CIF file | Formula: - C18 H24 N2 O7 - Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584 Space group: P 21 21 21 Cell volume: 1878.4 Cell parameters: 5.5811; 12.5943; 26.723; 90; 90; 90; |
| COD ID: 1514978 | |
| CIF file | Formula: - C17 H22 N2 O6 - Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584 Space group: P 1 21 1 Cell volume: 860.11 Cell parameters: 10.1928; 6.6518; 12.7044; 90; 93.098; 90; |
| COD ID: 1514979 | |
| CIF file | Formula: - C18 H24 N2 O7 - Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584 Space group: P 1 21/c 1 Cell volume: 1866.1 Cell parameters: 12.8847; 5.6274; 25.767; 90; 92.776; 90; |
| COD ID: 1514980 | |
| CIF file | Formula: - C31 H28 Fe O6 Pt S4 - Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602 Space group: P 1 21/n 1 Cell volume: 3149.5 Cell parameters: 14.6379; 11.5625; 18.7162; 90; 96.152; 90; |
| COD ID: 1514981 | |
| CIF file | Formula: - C47 H60 Co O9.75 Pt S4 - Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602 Space group: I 1 2/a 1 Cell volume: 8855.2 Cell parameters: 22.814; 16.6711; 23.2989; 90; 92.135; 90; |
| COD ID: 1514982 | |
| CIF file | Formula: - C28 H22 Co O5 Pt S4 - Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602 Space group: P 1 c 1 Cell volume: 2969 Cell parameters: 11.3784; 11.822; 22.0722; 90; 90.429; 90; |
| COD ID: 1514983 | |
| CIF file | Formula: - C32.35 H29.7 Ni O6.09 Pt S4 - Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602 Space group: I -4 c 2 Cell volume: 8218.7 Cell parameters: 19.0697; 19.0697; 22.6005; 90; 90; 90; |
| COD ID: 1514984 | |
| CIF file | Formula: - C35 H41 B O7 - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P -1 Cell volume: 1526.94 Cell parameters: 8.0671; 12.5459; 15.4229; 83.045; 83.617; 81.899; |
| COD ID: 1514985 | |
| CIF file | Formula: - C28 H35 N O7 Si - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P 1 21 1 Cell volume: 1477.19 Cell parameters: 11.4194; 10.9563; 12.2162; 90; 104.877; 90; |
| COD ID: 1514986 | |
| CIF file | Formula: - C28 H35 N O7 Si - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P 21 21 21 Cell volume: 2765.33 Cell parameters: 10.6948; 14.0253; 18.4358; 90; 90; 90; |
| COD ID: 1514987 | |
| CIF file | Formula: - C28 H36 O6 Si2 - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P -1 Cell volume: 1465.19 Cell parameters: 10.3358; 10.7754; 13.7612; 103.096; 100.398; 91.195; |
| COD ID: 1514988 | |
| CIF file | Formula: - C29 H37 N O8 Si - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P 21 21 21 Cell volume: 3006.58 Cell parameters: 10.1179; 13.7992; 21.5342; 90; 90; 90; |
| COD ID: 1514989 | |
| CIF file | Formula: - C38 H47 B O8 Sn - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P -1 Cell volume: 1965.93 Cell parameters: 10.8449; 13.7385; 14.5994; 78.148; 75.225; 70.556; |
| COD ID: 1514990 | |
| CIF file | Formula: - C35 H39 B O8 - Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221 Space group: P 1 21/c 1 Cell volume: 3169.02 Cell parameters: 10.2127; 10.942; 28.6657; 90; 98.392; 90; |
| COD ID: 1514991 | |
| CIF file | Formula: - C37 H57 Ni P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P b c a Cell volume: 7082.4 Cell parameters: 16.1008; 16.9634; 25.931; 90; 90; 90; |
| COD ID: 1514992 | |
| CIF file | Formula: - C77.75 H75.75 B F24 N2 Ni P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: C 1 2/c 1 Cell volume: 15703 Cell parameters: 47.534; 13.9003; 30.423; 90; 128.63; 90; |
| COD ID: 1514993 | |
| CIF file | Formula: - C70 H69 B F24 N Ni P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P 1 21/c 1 Cell volume: 7235.8 Cell parameters: 12.8286; 14.9103; 38.095; 90; 96.779; 90; |
| COD ID: 1514994 | |
| CIF file | Formula: - C69 H66 B Cl F24 Ni O P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P b c a Cell volume: 14004.6 Cell parameters: 26.3375; 19.5435; 27.2078; 90; 90; 90; |
| COD ID: 1514995 | |
| CIF file | Formula: - C36 H55 Cl Ni P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P -1 Cell volume: 1761.8 Cell parameters: 10.9905; 11.1304; 16.8144; 78.237; 79.052; 61.648; |
| COD ID: 1514996 | |
| CIF file | Formula: - C86 H54 B F24 N2 Ni P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P -1 Cell volume: 3992.6 Cell parameters: 13.2952; 15.4595; 20.2687; 74.996; 84.981; 83.775; |
| COD ID: 1514997 | |
| CIF file | Formula: - C87 H54 B F24 Ni O P3 Si - Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313 Space group: P -1 Cell volume: 3992.3 Cell parameters: 13.2892; 15.457; 20.2883; 74.851; 85.107; 83.842; |
| COD ID: 1514998 | |
| CIF file | Formula: - C37 H32 Cl2 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: C 1 2/c 1 Cell volume: 3051 Cell parameters: 28.982; 11.074; 9.7067; 90; 101.66; 90; |
| COD ID: 1514999 | |
| CIF file | Formula: - C41 H35 Cl2 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: C 1 2/c 1 Cell volume: 3342 Cell parameters: 32.92; 11.005; 9.624; 90; 106.563; 90; |
| COD ID: 1515000 | |
| CIF file | Formula: - C20 H14 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: P 1 21/n 1 Cell volume: 737.3 Cell parameters: 10.7874; 6.1038; 11.5494; 90; 104.177; 90; |
| COD ID: 1515001 | |
| CIF file | Formula: - C32 H32 N4 O6 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: P -1 Cell volume: 732.4 Cell parameters: 6.2483; 7.152; 16.741; 101.417; 91.557; 92.041; |
| COD ID: 1515002 | |
| CIF file | Formula: - C24 H18 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: P 1 21/n 1 Cell volume: 912.37 Cell parameters: 12.5981; 6.0734; 13.4724; 90; 117.737; 90; |
| COD ID: 1515003 | |
| CIF file | Formula: - C29 H23 Cl2 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: C 1 2/c 1 Cell volume: 2436.6 Cell parameters: 22.398; 11.1946; 9.7652; 90; 95.645; 90; |
| COD ID: 1515004 | |
| CIF file | Formula: - C33 H28 Cl2 N2 - Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007 Space group: C 1 2/c 1 Cell volume: 2757 Cell parameters: 25.388; 11.126; 9.788; 90; 94.187; 90; |
| COD ID: 1515005 | |
| CIF file | Formula: - C44 H42 Cl3 N7 O7 - Comments: Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M. Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds Chemical Science 3(4) (2012) 1105 Space group: P 1 21/c 1 Cell volume: 4345.2 Cell parameters: 9.5229; 39.529; 11.6647; 90; 98.282; 90; |
| COD ID: 1515006 | |
| CIF file | Formula: - C72 H102 Nb2 O6 P4 - Comments: Velian, Alexandra; Cummins, Christopher C. Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process Chemical Science 3(4) (2012) 1003 Space group: P 1 21/c 1 Cell volume: 7240.2 Cell parameters: 18.9443; 21.565; 17.9908; 90; 99.909; 90; |
| COD ID: 1515007 | |
| CIF file | Formula: - C46 H78 Co3 I4 N4 O5 - Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245 Space group: P 1 21/c 1 Cell volume: 5515.64 Cell parameters: 11.79263; 21.62584; 22.16086; 90; 102.592; 90; |
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