Information card for entry 5000327

Structure parameters

• Formula: C70 H94 Cl12 Fe6 N8 O26
• Calculated formula: C70 H94 Cl12 Fe6 N8 O26
• a: 13.162 ± 0.003 Å
• b: 25.243 ± 0.005 Å
• c: 14.556 ± 0.003 Å
• α: 90°
• β: 104.212 ± 0.011°
• γ: 90°
• Cell volume: 4687.9 ± 1.5 ų
• Cell temperature: 154 K
• Ambient diffraction temperature: 154 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6608
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No