Information card for entry 4072058

Structure parameters

• Formula: C34 H52 Mg N2 O3
• Calculated formula: C34 H52 Mg N2 O3
• SMILES: [Mg]1(N(C(C)=C(N1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 9.919 ± 0.002 Å
• b: 10.934 ± 0.002 Å
• c: 16.185 ± 0.003 Å
• α: 74.76 ± 0.03°
• β: 76.25 ± 0.03°
• γ: 82.97 ± 0.03°
• Cell volume: 1641.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1082
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No