Information card for entry 4320880

Structure parameters

• Common name: [Bu4N][trans-{Re6S8Cl4(pz)2}]
• Formula: C40 H80 Cl4 N6 Re6 S8
• Calculated formula: C40 H80 Cl4 N6 Re6 S8
• SMILES: [S]12[Re]345678([S]9[Re]%10%11%12%1313(Cl)[S]1[Re]3%14%15%16%17%11([S]%11[Re]%1879%131%16([S]5[Re]158%17%11%18([S]4[Re]26%12%155([S]%103)([S]%141)Cl)Cl)Cl)[n]1ccncc1)[n]1ccncc1.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Emission and Metal- and Ligand-Centered-Redox Characteristics of the Hexarhenium(III) Clusters trans- and cis-[Re6(μ3-S)8Cl4(L)2]2-, Where L Is a Pyridine Derivative or Pyrazine
• Authors of publication: Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; Shoji Ishizaka; Haeng-Boo Kim; Noboru Kitamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1765 - 1772
• a: 19.56 ± 0.005 Å
• b: 16.257 ± 0.004 Å
• c: 19.05 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6058 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.82
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No