Information card for entry 4309181

Structure parameters

• Formula: C31 H38 N O4 V
• Calculated formula: C31 H38 N O4 V
• SMILES: [V]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C)C)Cc1c(O2)c(cc(c1)C)C)C)C)[O]1CCCC1
• Title of publication: Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes
• Authors of publication: Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5073 - 5080
• a: 9.493 ± 0.0002 Å
• b: 17.415 ± 0.0003 Å
• c: 16.53 ± 0.0004 Å
• α: 90°
• β: 98.366 ± 0.0007°
• γ: 90°
• Cell volume: 2703.67 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No