Information card for entry 4513986

Structure parameters

• Formula: C16 H24 B2 N8 Ni
• Calculated formula: C16 H24 B2 N8 Ni
• SMILES: [BH2]1N2C(N(C=C2)C)=[Ni]2(=C3N1C=CN3C)=C1N([BH2]N3C=2N(C=C3)C)C=CN1C
• Title of publication: Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions
• Authors of publication: Lu, Zhiyao; Williams, Travis J.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 6670
• a: 6.8569 ± 0.0006 Å
• b: 16.0355 ± 0.0013 Å
• c: 8.668 ± 0.0007 Å
• α: 90°
• β: 98.926 ± 0.001°
• γ: 90°
• Cell volume: 941.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No