Information card for entry 4330089

Structure parameters

• Formula: C51.4 H70 B4 Fe2 N14 O1.6
• Calculated formula: C51.4 H70 B4 Fe2 N14 O1.6
• Title of publication: Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands
• Authors of publication: Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9056 - 9065
• a: 24.399 ± 0.0017 Å
• b: 22.2855 ± 0.0013 Å
• c: 11.2692 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6127.6 ± 0.7 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No