Information card for entry 4322442

Structure parameters

• Formula: C26 H46 Cl4 N3 Re6 S8
• Calculated formula: C26 H10 Cl4 N3 Re6 S8
• SMILES: [S]12[Re]345678([S]9[Re]%10%11%12%13%146([S]4[Re]46%15%168%14([S]3[Re]38%1415%16([S]6[Re]15%12%158([S]%104)([S]%11[Re]279%13%145([S]31)Cl)[n]1ccccc1)Cl)Cl)Cl)[n]1ccccc1.C([N+](CCCC)(CCCC)CCCC)CCC
• Title of publication: Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands
• Authors of publication: Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5557 - 5564
• a: 20.524 ± 0.005 Å
• b: 13.794 ± 0.004 Å
• c: 16.399 ± 0.004 Å
• α: 90°
• β: 109.72 ± 0.02°
• γ: 90°
• Cell volume: 4370 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No