Information card for entry 4064943

Structure parameters

• Formula: C19 H43 Cl N2 Ni P2
• Calculated formula: C19 H43 Cl N2 Ni P2
• SMILES: [Ni]12(Cl)[P](NCC2CN[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• 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: 11.8428 ± 0.0008 Å
• b: 14.4447 ± 0.0009 Å
• c: 14.7145 ± 0.0011 Å
• α: 90°
• β: 103.688 ± 0.004°
• γ: 90°
• Cell volume: 2445.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No