Information card for entry 4060178

Structure parameters

• Formula: C36 H28 Co4 Fe O12 S3
• Calculated formula: C36 H28 Co4 Fe O12 S3
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.1828 ± 0.0001 Å
• b: 34.1578 ± 0.0003 Å
• c: 14.6109 ± 0.0001 Å
• α: 90°
• β: 102.049 ± 0.001°
• γ: 90°
• Cell volume: 3993.87 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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 all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No