Information card for entry 4064940

Structure parameters

• Formula: C22 H51 Cl7 N2 Ni P2
• Calculated formula: C22 H51 Cl7 N2 Ni P2
• SMILES: [Ni](Cl)(Cl)(Cl)[P](N(CCN([PH+](C(C)(C)C)C(C)(C)C)C)C)(C(C)(C)C)C(C)(C)C.ClCCl.ClCCl
• Title of publication: Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes
• Authors of publication: Gwynne, Erin A.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4128
• a: 10.8771 ± 0.0006 Å
• b: 20.2402 ± 0.0012 Å
• c: 15.8448 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1544
• 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