Information card for entry 4071163

Structure parameters

• Formula: C26 H36 Br2 N4 Ni
• Calculated formula: C26 H36 Br2 N4 Ni
• SMILES: Br[Ni](=C1N(c2ccccc2N1C(C)C)C(C)C)(=C1N(c2ccccc2N1C(C)C)C(C)C)Br
• Title of publication: Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)
• Authors of publication: Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2231
• a: 17.0371 ± 0.0009 Å
• b: 9.4576 ± 0.0005 Å
• c: 17.5727 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2831.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No