Information card for entry 4336426

Structure parameters

• Formula: C25 H31 Cl2 Fe N7 O8
• Calculated formula: C25 H31 Cl2 Fe N7 O8
• Title of publication: Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes
• Authors of publication: Michaela Grau; Jason England; Rafael Torres Martin de Rosales; Henry S. Rzepa; Andrew J. P. White; George J. P. Britovsek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11867 - 11874
• a: 18.3004 ± 0.0002 Å
• b: 12.48519 ± 0.00017 Å
• c: 13.43464 ± 0.00016 Å
• α: 90°
• β: 90.6391 ± 0.0011°
• γ: 90°
• Cell volume: 3069.41 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0496
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No