Information card for entry 4339970

Structure parameters

• Formula: C48 H58 N O3 V
• Calculated formula: C48 H58 N O3 V
• SMILES: [V]12(=O)Oc3c(cc(cc3Cc3cc(cc(c3N1c1ccc(cc1)C)Cc1c(O2)c(cc(c1)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C.c1(ccccc1)C
• Title of publication: Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.
• Authors of publication: Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6775 - 6787
• a: 13.238 ± 0.002 Å
• b: 13.7138 ± 0.0019 Å
• c: 14.4689 ± 0.0015 Å
• α: 60.738 ± 0.011°
• β: 65.948 ± 0.012°
• γ: 71.376 ± 0.013°
• Cell volume: 2068.7 ± 0.5 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No