Information card for entry 4312617

Structure parameters

• Formula: C22 H30 Cl N2 O3 V
• Calculated formula: C22 H30 Cl N2 O3 V
• SMILES: [V]123(Cl)([N](Cc4cc(cc(c4O2)C)C)(Cc2c(O3)c(cc(c2)C)C)CC[N]1(C)C)=O
• Title of publication: Vanadium(V) Complexes of a Chelating Dianionic [ONNO]-Type Amine Bis(Phenolate) Ligand: Synthesis and Solid State and Solution Structures
• Authors of publication: Fabien Wolff; Christian Lorber; Robert Choukroun; Bruno Donnadieu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7839 - 7845
• a: 15.035 ± 0.002 Å
• b: 11.1489 ± 0.0006 Å
• c: 27.935 ± 0.002 Å
• α: 90°
• β: 105.296 ± 0.008°
• γ: 90°
• Cell volume: 4516.7 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No