Information card for entry 4339963

Structure parameters

• Formula: C111 H142 N2 Na4 O6
• Calculated formula: C111 H142 N2 Na4 O6
• SMILES: c1([O-])c(cc(cc1Cc1c(Nc2ccc(cc2)C)c(cc(c1)C(C)(C)C)Cc1c([O-])c(cc(c1)C)C(C)(C)C)C)C(C)(C)C.Cc1ccccc1.[Na+].[Na+].O1CCCC1.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: 16.015 ± 0.004 Å
• b: 17.626 ± 0.005 Å
• c: 18.858 ± 0.004 Å
• α: 77.16 ± 0.008°
• β: 70.705 ± 0.006°
• γ: 86.825 ± 0.007°
• Cell volume: 4898 ± 2 ų
• Cell temperature: 123.15 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: 0.0668
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No