Information card for entry 7020803

Structure parameters

• Formula: C42 H62 Ni2 P4
• Calculated formula: C42 H62 Ni2 P4
• SMILES: [P](C(C)C)(C(C)C)(C(C)C)[Ni]12[P](c3ccccc3)(c3ccccc3)[Ni]2([P]1(c1ccccc1)c1ccccc1)[P](C(C)C)(C(C)C)C(C)C
• 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: 10.8561 ± 0.0005 Å
• b: 17.7577 ± 0.0003 Å
• c: 11.3609 ± 0.0007 Å
• α: 90°
• β: 107.813 ± 0.003°
• γ: 90°
• Cell volume: 2085.15 ± 0.17 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No