Information card for entry 4074857

Structure parameters

• Formula: C48 H40 Br N Ni P2
• Calculated formula: C48 H40 Br N Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2[Ni]1(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc21.c1ccccc1.c1ccccc1
• 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: 24.288 ± 0.0007 Å
• b: 9.732 ± 0.0003 Å
• c: 18.409 ± 0.0007 Å
• α: 90°
• β: 113.052 ± 0.001°
• γ: 90°
• Cell volume: 4003.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No