Information card for entry 7020800

Structure parameters

• Formula: C19 H42 Ni O2 P2
• Calculated formula: C19 H42 Ni O2 P2
• SMILES: [Ni]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[O]=[C]1=O
• Title of publication: Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.
• Authors of publication: Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1461 - 1475
• a: 8.1143 ± 0.0003 Å
• b: 8.465 ± 0.0004 Å
• c: 18.9139 ± 0.0003 Å
• α: 89.338 ± 0.001°
• β: 77.635 ± 0.002°
• γ: 64.252 ± 0.001°
• Cell volume: 1138.11 ± 0.07 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No