Information card for entry 4064413

Structure parameters

• Formula: C42 H48 Cl0.13 I N4 Ni
• Calculated formula: C42 H48 Cl0.13 I N4 Ni
• Title of publication: N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.
• Authors of publication: Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2546 - 2552
• a: 17.7237 ± 0.0002 Å
• b: 18.561 ± 0.0002 Å
• c: 23.7208 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7803.42 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No