Information card for entry 4315957

Structure parameters

• Formula: C30 H46 Co N6
• Calculated formula: C30 H46 Co N6
• SMILES: [Co]1234([N](=C(c5[n]1c(ccc5)C(=[N]2C(C)C)C)C)C(C)C)[N](=C(c1[n]3c(ccc1)C(=[N]4C(C)C)C)C)C(C)C
• Title of publication: Reduced N-Alkyl Substituted Bis(imino)pyridine Cobalt Complexes: Molecular and Electronic Structures for Compounds Varying by Three Oxidation States
• Authors of publication: Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Emil Lobkovsky; Thomas Weyhermüller; Karl Wieghardt; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6110 - 6123
• a: 9.697 ± 0.002 Å
• b: 16.464 ± 0.003 Å
• c: 18.072 ± 0.003 Å
• α: 90°
• β: 91.294 ± 0.003°
• γ: 90°
• Cell volume: 2884.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No