Information card for entry 4060177

Structure parameters

• Formula: C35 H26 Co4 Fe O12 S2
• Calculated formula: C35 H26 Co4 Fe O12 S2
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 12.4781 ± 0.0002 Å
• b: 22.37 ± 0.0003 Å
• c: 27.1757 ± 0.0004 Å
• α: 90°
• β: 90.079 ± 0.001°
• γ: 90°
• Cell volume: 7585.68 ± 0.19 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: 0.095
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No