Information card for entry 7106484

Structure parameters

• Formula: C18 H16 F12 N6 Ni P2
• Calculated formula: C18 H16 F12 N6 Ni P2
• SMILES: c1cccc2[n]1[Ni]13=C4N2C=CN4CCN2C=CN(c4cccc[n]34)C=12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water
• Authors of publication: V. Sara Thoi; Christopher J. Chang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Pages of publication: 6578
• a: 10.079 ± 0.0007 Å
• b: 19.0802 ± 0.0015 Å
• c: 12.1281 ± 0.0009 Å
• α: 90°
• β: 100.406 ± 0.001°
• γ: 90°
• Cell volume: 2294 ± 0.3 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No