Information card for entry 5000345

Structure parameters

• Formula: C92 H82 Cl42 Fe6 N8 O27
• Calculated formula: C93.3205 H66 Cl41.9999 Fe6 N8 O29.7604
• a: 14.217 ± 0.003 Å
• b: 18.397 ± 0.004 Å
• c: 14.17 ± 0.003 Å
• α: 111.963 ± 0.011°
• β: 98.869 ± 0.012°
• γ: 82.316 ± 0.012°
• Cell volume: 3384.5 ± 1.3 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 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 significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0964
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No