Information card for entry 4301928

Structure parameters

• Formula: C23 H38 Cl2 N2 O4
• Calculated formula: C23 H38 Cl2 N2 O4
• SMILES: [Cl-].Oc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O.OC(C)C.[Cl-].O
• Title of publication: Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions
• Authors of publication: Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3542 - 3561
• a: 9.0813 ± 0.0004 Å
• b: 16.0307 ± 0.0007 Å
• c: 9.8496 ± 0.0004 Å
• α: 90°
• β: 117.38 ± 0.001°
• γ: 90°
• Cell volume: 1273.27 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No