Information card for entry 4060179

Structure parameters

• Formula: C38 H32 Co4 Fe O14 S2
• Calculated formula: C38 H32 Co4 Fe O14 S2
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 14.498 ± 0.0005 Å
• b: 10.8391 ± 0.0003 Å
• c: 14.0975 ± 0.0004 Å
• α: 90°
• β: 108.514 ± 0.001°
• γ: 90°
• Cell volume: 2100.7 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No