Information card for entry 4320062

Structure parameters

• Formula: C32 H50 N3 O3 V
• Calculated formula: C32 H50 N3 O3 V
• SMILES: [V]1234([NH](c5c(O1)c(cc(c5)C(C)(C)C)C(C)(C)C)CC[NH]2CCN4c1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)=O
• Title of publication: Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions
• Authors of publication: Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4157 - 4166
• a: 34.225 ± 0.005 Å
• b: 6.7592 ± 0.0008 Å
• c: 28.552 ± 0.003 Å
• α: 90°
• β: 105.33 ± 0.02°
• γ: 90°
• Cell volume: 6370 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.1887
• Weighted residual factors for significantly intense reflections: 0.1678
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No