Information card for entry 5000316

Structure parameters

• Formula: C105 H95 Br4 Cl2 Mn6 N O16
• Calculated formula: C108.8 H90 Br4 Cl2.01 Mn6 N0.7 O16
• a: 17.18 ± 0.007 Å
• b: 18.454 ± 0.007 Å
• c: 34.636 ± 0.014 Å
• α: 90°
• β: 100.88 ± 0.02°
• γ: 90°
• Cell volume: 10784 ± 8 ų
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5171
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No