Information card for entry 4314941

Structure parameters

• Formula: C34 H35 Cl2 Fe N13 O8
• Calculated formula: C34 H32 Cl2 Fe N13 O8
• Title of publication: Stable Eight-Coordinate Iron(III/II) Complexes
• Authors of publication: Ashis K. Patra; Koustubh S. Dube; Georgia C. Papaefthymiou; Jeanet Conradie; Abhik Ghosh; Todd C. Harrop
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2032 - 2034
• a: 10.2026 ± 0.0008 Å
• b: 21.3337 ± 0.0017 Å
• c: 18.0463 ± 0.0014 Å
• α: 90°
• β: 92.662 ± 0.001°
• γ: 90°
• Cell volume: 3923.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No