Information card for entry 4072057

Structure parameters

• Formula: C48 H64 N4 Na4
• Calculated formula: C48 H64 N4 Na4
• SMILES: [Na]1[N]2([Na][N]1(C(=C2C)C)c1c(cccc1CC)CC)c1c(cccc1CC)CC
• Title of publication: Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands
• Authors of publication: Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5830
• a: 12.366 ± 0.003 Å
• b: 12.366 ± 0.003 Å
• c: 29.154 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4458 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.2655
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No