Information card for entry 4322439

Structure parameters

• Formula: C46 H92 Cl4 N5 O2 Re6 S8
• Calculated formula: C46 H10 Cl4 N6 O2 Re6 S8
• SMILES: O.[S]12[Re]345678([S]9[Re]%10%11%12%1316([S]1[Re]6%14%15%16%17%11([S]%11[Re]%18%19%205%15([S]3[Re]27%12%16%19([S]%106)([S]%14%18)Cl)([S]4[Re]89%131%17%11%20Cl)Cl)[n]1ccccc1)Cl)[n]1ccccc1.C(CCC)[N+](CCCC)(CCCC)CCCC.CC#N.O.C(CCC)[N+](CCCC)(CCCC)CCCC.CC#N
• 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: 24.693 ± 0.008 Å
• b: 19.464 ± 0.004 Å
• c: 18.592 ± 0.004 Å
• α: 90°
• β: 115.76 ± 0.02°
• γ: 90°
• Cell volume: 8048 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No