Information card for entry 4333006

Structure parameters

• Formula: C17.5 H25 Cl N2 Ni O2
• Calculated formula: C17.5 H25 Cl N2 Ni O2
• Title of publication: Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes
• Authors of publication: Dible, Benjamin R.; Sigman, Matthew S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8430 - 8441
• a: 12.5757 ± 0.0004 Å
• b: 10.2031 ± 0.0002 Å
• c: 15.6864 ± 0.0004 Å
• α: 90°
• β: 113.661 ± 0.001°
• γ: 90°
• Cell volume: 1843.54 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No