Information card for entry 7011421

Structure parameters

• Formula: C63 H44 Co5 F9 N20 O9 S3
• Calculated formula: C63 H44 Co5 F9 N20 O9 S3
• Title of publication: Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds
• Authors of publication: Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2670
• a: 13.8809 ± 0.0002 Å
• b: 17.2756 ± 0.0002 Å
• c: 13.9058 ± 0.0002 Å
• α: 90°
• β: 99.7585 ± 0.0006°
• γ: 90°
• Cell volume: 3286.37 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No