Information card for entry 7003267

Structure parameters

• Formula: C22 H44 N4 Ni
• Calculated formula: C22 H44 N4 Ni
• SMILES: C(C)(C)(C)N1C(N(CC1)C(C)(C)C)=[Ni]=C1N(C(C)(C)C)CCN1C(C)(C)C
• Title of publication: A method for the synthesis of nickel(0) bis(carbene) complexes
• Authors of publication: Danopoulos, Andreas A.; Pugh, David
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 30
• a: 11.6779 ± 0.0006 Å
• b: 11.6779 ± 0.0006 Å
• c: 35.091 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4785.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No