Information card for entry 4336980

Structure parameters

• Formula: C54 H56 Cl6 Co2 F12 N12 P2
• Calculated formula: C54 H56 Cl6 Co2 F12 N12 P2
• SMILES: [Co]123([Cl][Co]45([Cl]1)([N](=Nc1[n]5cccc1)c1c(C)cccc1C)[N](=Nc1[n]4cccc1)c1c(C)cccc1C)([N](=Nc1[n]3cccc1)c1c(cccc1C)C)[N](=Nc1[n]2cccc1)c1c(C)cccc1C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• 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: 13.244 ± 0.007 Å
• b: 21.071 ± 0.01 Å
• c: 23.312 ± 0.012 Å
• α: 90°
• β: 93.632 ± 0.015°
• γ: 90°
• Cell volume: 6492 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No