Information card for entry 7044052

Structure parameters

• Formula: C21 H43 F6 N Ni P4
• Calculated formula: C21 H43 F6 N Ni P4
• 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: 8.285 ± 0.0017 Å
• b: 15.792 ± 0.003 Å
• c: 21.433 ± 0.004 Å
• α: 90°
• β: 94.379 ± 0.003°
• γ: 90°
• Cell volume: 2796 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No