Information card for entry 4339966

Structure parameters

• Formula: C55.5 H86 N Na3 O8
• Calculated formula: C53 H80 N Na3 O8
• SMILES: [Na]123([O]4[Na]5([N]1(c1c(Cc6c4c(cc(c6)C)C(C)(C)C)cc(cc1Cc1c([O]5[Na]4[O](C)CC[O]4C)c(cc(c1)C)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C)[O](CC[O]3C)C)[O](C)CC[O]2C
• 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: 12.042 ± 0.002 Å
• b: 16.809 ± 0.003 Å
• c: 29.107 ± 0.006 Å
• α: 90°
• β: 97.968 ± 0.003°
• γ: 90°
• Cell volume: 5834.8 ± 1.9 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 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: 0.188
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No