Information card for entry 5000323

Structure parameters

• Formula: C31 H29 Cl6 Fe3 N4 O4
• Calculated formula: C31 H29 Cl6 Fe3 N4 O4
• a: 14.099 ± 0.007 Å
• b: 18.51 ± 0.008 Å
• c: 7.108 ± 0.003 Å
• α: 96.77 ± 0.03°
• β: 99.45 ± 0.03°
• γ: 81.16 ± 0.02°
• Cell volume: 1800 ± 1.4 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 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: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No