Information card for entry 4334052

Structure parameters

• Formula: C40 H64 N Na O3
• Calculated formula: C40 H64 N Na O3
• SMILES: [Na]([O]1CCCC1)(n1c2c(cc(cc2c2cc(cc(c12)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands
• Authors of publication: Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2678 - 2683
• a: 13.997 ± 0.003 Å
• b: 17.624 ± 0.003 Å
• c: 16.003 ± 0.003 Å
• α: 90°
• β: 105.524 ± 0.003°
• γ: 90°
• Cell volume: 3803.7 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No