Information card for entry 4072056

Structure parameters

• Formula: C30 H44 N2 Na2 O2
• Calculated formula: C30 H44 N2 Na2 O2
• SMILES: [Na+].[Na+].[N-](/C(=C(\[N-]c1c(C)cc(cc1C)C)C)C)c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1
• 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: 10.4148 ± 0.0015 Å
• b: 20.699 ± 0.003 Å
• c: 14.609 ± 0.002 Å
• α: 90°
• β: 107.828 ± 0.002°
• γ: 90°
• Cell volume: 2998.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1785
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No