Information card for entry 4339964

Structure parameters

• Formula: C49 H71 N Na2 O6
• Calculated formula: C49 H71 N Na2 O6
• SMILES: c1(c(C(C)(C)C)cc(C)cc1Cc1c2Nc3ccc(C)cc3)[O]([Na]34[O](C)CC[O]3C)[Na]3([O]4c4c(cc(cc4Cc2cc(c1)C(C)(C)C)C)C(C)(C)C)[O](C)CC[O]3C
• 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: 15.4706 ± 0.0017 Å
• b: 18.03 ± 0.002 Å
• c: 34.053 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9498.6 ± 1.9 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No