Information card for entry 4314525

Structure parameters

• Formula: C56 H96 Cl4 N6 Re6 S8
• Calculated formula: C56 H24 Cl4 N6 Re6 S8
• Title of publication: Excited-State Properties of Octahedral Hexarhenium(III) Complexes with Redox-active N-heteroaromatic Ligands
• Authors of publication: Takashi Yoshimura; Chiaki Suo; Kiyoshi Tsuge; Shoji Ishizaka; Koichi Nozaki; Yoichi Sasaki; Noboru Kitamura; Atsushi Shinohara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 531 - 540
• a: 13.52 ± 0.006 Å
• b: 10.835 ± 0.004 Å
• c: 23.838 ± 0.008 Å
• α: 90°
• β: 92.78 ± 0.01°
• γ: 90°
• Cell volume: 3488 ± 2 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No