Information card for entry 4060085

Structure parameters

• Formula: C33.25 H18.5 Cl0.5 Fe6 O18 S9
• Calculated formula: C33.25 H18.5 Cl0.5 Fe6 O18 S9
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 13.612 ± 0.005 Å
• b: 14.753 ± 0.006 Å
• c: 15.879 ± 0.006 Å
• α: 64.381 ± 0.007°
• β: 70.868 ± 0.007°
• γ: 81.534 ± 0.008°
• Cell volume: 2716.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No