Information card for entry 7012527

Structure parameters

• Formula: C26 H43 F12 N5 Ni O P2
• Calculated formula: C26 H43 F12 N5 Ni O P2
• 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: 12.927 ± 0.0006 Å
• b: 17.4997 ± 0.0009 Å
• c: 15.2769 ± 0.0009 Å
• α: 90°
• β: 92.95 ± 0.01°
• γ: 90°
• Cell volume: 3451.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No