Information card for entry 4333009

Structure parameters

• Formula: C11 H19 I N2 Ni
• Calculated formula: C11 H19 I N2 Ni
• 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: 8.9469 ± 0.0003 Å
• b: 11.6836 ± 0.0003 Å
• c: 13.5112 ± 0.0004 Å
• α: 90°
• β: 107.259 ± 0.0013°
• γ: 90°
• Cell volume: 1348.76 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No