Information card for entry 4302504

Structure parameters

• Formula: C50 H72 Co N4 Na O6
• Calculated formula: C50 H72 Co N4 Na O6
• SMILES: [Co]12([n]3ccccc3C=[N]1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1C=[N]2c1c(cccc1C(C)C)C(C)C.[Na]1234([O]5CC[O]2CC[O]4CC[O]1CC[O]3CC5)[O]1CCCC1
• Title of publication: Accessing the Different Redox States of α-Iminopyridines within Cobalt Complexes
• Authors of publication: Connie C. Lu; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6055 - 6064
• a: 10.1252 ± 0.0003 Å
• b: 35.7222 ± 0.0011 Å
• c: 13.8017 ± 0.0004 Å
• α: 90°
• β: 102.775 ± 0.003°
• γ: 90°
• Cell volume: 4868.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No