Information card for entry 4339971

Structure parameters

• Formula: C59 H72 N5 O2 V
• Calculated formula: C59 H72 N5 O2 V
• SMILES: [V]12(=Nc3c(cc(cc3C)C)C)N(c3c(Cc4c(O1)c(cc(c4)C)C(C)(C)C)cc(cc3Cc1c(O2)c(cc(c1)C)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C.c1(c(cc(cc1C)C)C)N=N#N
• 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: 11.032 ± 0.003 Å
• b: 14.833 ± 0.005 Å
• c: 16.368 ± 0.005 Å
• α: 85.84 ± 0.007°
• β: 83.155 ± 0.008°
• γ: 79.888 ± 0.007°
• Cell volume: 2614.4 ± 1.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No