Information card for entry 4316265

Structure parameters

• Formula: C35 H56 Cl N2 O3 V
• Calculated formula: C35 H56 Cl N2 O3 V
• SMILES: [V]123(Cl)(Oc4c(C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)[C@@H](C[N]3(C)C)C)cc(cc4C(C)(C)C)C(C)(C)C)=O
• Title of publication: Vanadium Diaminebis(phenolate) Complexes: Syntheses, Structures, and Reactivity in Sulfoxidation Catalysis
• Authors of publication: Sónia Barroso; Pedro Adão; Filipe Madeira; M. Teresa Duarte; João Costa Pessoa; Ana M. Martins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7452 - 7463
• a: 8.76 ± 0.0004 Å
• b: 13.481 ± 0.0007 Å
• c: 15.621 ± 0.0008 Å
• α: 90°
• β: 97.534 ± 0.003°
• γ: 90°
• Cell volume: 1828.81 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No