Information card for entry 4326481

Structure parameters

• Common name: 5[Ni(pyN2Ph2)(OH)],5(Me4N) 3DMF
• Formula: C244 H231 N23 Ni5 O18
• Calculated formula: C244 H231 N23 Ni5 O18
• SMILES: [Ni]12(O)N(C(=O)c3[n]1c(ccc3)C(=O)N2c1c(cccc1c1ccccc1)c1ccccc1)c1c(cccc1c1ccccc1)c1ccccc1.O=CN(C)C.[N+](C)(C)(C)C
• 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: 18.031 ± 0.0012 Å
• b: 50.315 ± 0.003 Å
• c: 23.3403 ± 0.0016 Å
• α: 90°
• β: 98.914 ± 0.001°
• γ: 90°
• Cell volume: 20919 ± 2 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: 0.0752
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No