Information card for entry 4513949

Structure parameters

• Formula: C59 H68 Cl2 N8 Ni3 O4
• Calculated formula: C59 H68 Cl2 N8 Ni3 O4
• 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: 22.9867 ± 0.0014 Å
• b: 8.2956 ± 0.0005 Å
• c: 32.6131 ± 0.0019 Å
• α: 90°
• β: 109.922 ± 0.001°
• γ: 90°
• Cell volume: 5846.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No