Information card for entry 4120306

Structure parameters

• Formula: C25 H38 Ni P2
• Calculated formula: C25 H38 Ni P2
• Title of publication: Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes
• Authors of publication: Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11776 - 11779
• a: 8.9707 ± 0.0003 Å
• b: 16.2272 ± 0.0004 Å
• c: 16.9636 ± 0.0004 Å
• α: 90°
• β: 99.409 ± 0.0013°
• γ: 90°
• Cell volume: 2436.16 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No