Information card for entry 4349215

Structure parameters

• Formula: C45 H59 Mg N4 O
• Calculated formula: C45 H59 Mg N4 O
• SMILES: [Mg]12([O]3CCCC3)([N](=[N]1c1ccccc1)c1ccccc1)[N](=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.
• Authors of publication: Ren, Wenshan; Gu, Defa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11962 - 11970
• a: 19.5228 ± 0.0003 Å
• b: 14.08918 ± 0.00016 Å
• c: 15.5331 ± 0.00019 Å
• α: 90°
• β: 111.071 ± 0.0014°
• γ: 90°
• Cell volume: 3986.85 ± 0.1 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 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: 0.0449
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No