Information card for entry 4074862

Structure parameters

• Formula: C28 H45 N Ni P2
• Calculated formula: C28 H45 N Ni P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(C(C)C)C(C)C)CCCC
• Title of publication: Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity
• Authors of publication: Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1399 - 1411
• a: 18.084 ± 0.0003 Å
• b: 8.585 ± 0.0002 Å
• c: 19.323 ± 0.0004 Å
• α: 90°
• β: 107.576 ± 0.001°
• γ: 90°
• Cell volume: 2859.87 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No