Information card for entry 4336981

Structure parameters

• Formula: C27 H29 Co N6
• Calculated formula: C27 H29 Co N6
• SMILES: [Co]12([N](c3c(cccc3C)C)=Nc3[n]1cccc3)([n]1c(N=[N]2c2c(C)cccc2C)cccc1)C
• Title of publication: Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes
• Authors of publication: Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14040 - 14049
• a: 8.02 ± 0.0006 Å
• b: 16.8828 ± 0.0013 Å
• c: 37.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5063.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No