Information card for entry 4326478

Structure parameters

• Common name: (Et4N)[Ni(pyN2Et2)OH]
• Formula: C35 H50 N4 Ni O3
• Calculated formula: C35 H50 N4 Ni O3
• SMILES: [Ni]12(O)N(C(=O)c3[n]1c(ccc3)C(=O)N2c1c(cccc1CC)CC)c1c(cccc1CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates
• Authors of publication: Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10070 - 10081
• a: 16.1746 ± 0.0006 Å
• b: 25.9544 ± 0.001 Å
• c: 15.7902 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6628.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No