Information card for entry 4074864

Structure parameters

• Formula: C40 H39 N Ni P2 Si
• Calculated formula: C40 H39 N Ni P2 Si
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)C[Si](C)(C)C
• 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: 10.9794 ± 0.0002 Å
• b: 15.7917 ± 0.0004 Å
• c: 20.8066 ± 0.0004 Å
• α: 96.604 ± 0.002°
• β: 94.5042 ± 0.0014°
• γ: 90.539 ± 0.0008°
• Cell volume: 3571.9 ± 0.13 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.197
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections: 2.854
• Goodness-of-fit parameter for significantly intense reflections: 3.008
• Goodness-of-fit parameter for all reflections included in the refinement: 2.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No