Information card for entry 7012530

Structure parameters

• Formula: C26.5 H46 Cl2 Fe N5 O10
• Calculated formula: C26.5 H45 Cl2 Fe N5 O10
• Title of publication: O,N-Coordinated o-iminobenzoquinone and o-iminobenzosemiquinonato(1‒) ligands in complexes of Ni(ii), Co(iii) and Fe(iii)
• Authors of publication: Sik Min, Kil; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1126
• a: 16.8198 ± 0.0003 Å
• b: 21.0452 ± 0.0006 Å
• c: 20.68 ± 0.0006 Å
• α: 90°
• β: 113.6 ± 0.01°
• γ: 90°
• Cell volume: 6708 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.1595
• Weighted residual factors for significantly intense reflections: 0.1465
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No