Information card for entry 4306620

Structure parameters

• Common name: Me3NNNiNPh2_cmpd5
• Formula: C35 H39 N3 Ni
• Calculated formula: C35 H39 N3 Ni
• SMILES: [Ni]1(N(C(=CC(=[N]1c1c(C)cc(cc1C)C)C)C)c1c(C)cc(cc1C)C)N(c1ccccc1)c1ccccc1
• Title of publication: Reductive Cleavage of O-, S-, and N-Organonitroso Compounds by Nickel(I) β-Diketiminates
• Authors of publication: Marie M. Melzer; Sarah Jarchow-Choy; Elzbieta Kogut; Timothy H. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10187 - 10189
• a: 11.144 ± 0.002 Å
• b: 16.469 ± 0.004 Å
• c: 16.532 ± 0.004 Å
• α: 90°
• β: 91.421 ± 0.003°
• γ: 90°
• Cell volume: 3033.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No