Information card for entry 7020792

Structure parameters

• Formula: C18 H42 Br2 Ni P2
• Calculated formula: C18 H42 Br2 Ni P2
• SMILES: Br[Ni]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)Br
• 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: 8.1476 ± 0.0005 Å
• b: 8.9382 ± 0.0006 Å
• c: 16.3133 ± 0.001 Å
• α: 90°
• β: 93.797 ± 0.001°
• γ: 90°
• Cell volume: 1185.41 ± 0.13 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No