Information card for entry 4076470

Structure parameters

• Formula: C16 H40 F6 N3 Ni P3
• Calculated formula: C16 H40 F6 N3 Ni P3
• SMILES: [NiH]12[P](NCC[NH]2CCN[P]1(C(C)C)C(C)C)(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxidative Addition Reactions of Bis-Aminophosphine and Bis-Phosphinite Nickel(0) Pincer Complexes
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1584
• a: 10.202 ± 0.0009 Å
• b: 10.549 ± 0.0009 Å
• c: 12.3641 ± 0.001 Å
• α: 85.328 ± 0.003°
• β: 67.887 ± 0.002°
• γ: 89.813 ± 0.002°
• Cell volume: 1228.12 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No