Information card for entry 4078270

Structure parameters

• Formula: C37 H53 Co I2 N3
• Calculated formula: C37 H53 Co I2 N3
• Title of publication: Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes
• Authors of publication: Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3958
• a: 12.9841 ± 0.0008 Å
• b: 16.2444 ± 0.001 Å
• c: 18.4949 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3900.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No