Information card for entry 7044049

Structure parameters

• Formula: C30 H45 F6 N Ni P4
• Calculated formula: C30 H45 F6 N Ni P4
• SMILES: [Ni]12([P](Cc3ccc(C[P]1(C(C)C)C(C)C)n23)(C(C)C)C(C)C)[PH](c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.313 ± 0.002 Å
• b: 10.541 ± 0.0016 Å
• c: 19.493 ± 0.003 Å
• α: 90°
• β: 94.416 ± 0.002°
• γ: 90°
• Cell volume: 3342 ± 0.8 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: 0.0314
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No