Information card for entry 7044050

Structure parameters

• Formula: C30 H44 N Ni P3
• Calculated formula: C30 H44 N Ni P3
• SMILES: [Ni]12([P](Cc3n2c(C[P]1(C(C)C)C(C)C)cc3)(C(C)C)C(C)C)P(c1ccccc1)c1ccccc1
• Title of publication: Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand
• Authors of publication: Kessler, Julie A.; Iluc, Vlad M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.2144 ± 0.0008 Å
• b: 9.2591 ± 0.0008 Å
• c: 19.2579 ± 0.0016 Å
• α: 86.08 ± 0.003°
• β: 84.872 ± 0.003°
• γ: 63.32 ± 0.002°
• Cell volume: 1461.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No