Information card for entry 4316263

Structure parameters

• Formula: C42 H72 Cl N2 O4 V
• Calculated formula: C42 H72 Cl N2 O4 V
• SMILES: C1C[N](C)(C)[V]23([N]1(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)([O]1CCCC1)Cl.CCOCC
• 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: 27.851 ± 0.007 Å
• b: 9.717 ± 0.003 Å
• c: 17.162 ± 0.005 Å
• α: 90°
• β: 94.182 ± 0.015°
• γ: 90°
• Cell volume: 4632 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No