Information card for entry 7020805

Structure parameters

• Formula: C30 H52 Ni2 P2 S2
• Calculated formula: C30 H52 Ni2 P2 S2
• SMILES: c1ccc(cc1)[S]1[Ni]2([P](C(C)C)(C(C)C)C(C)C)[S](c3ccccc3)[Ni]12[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: 12.394 ± 0.003 Å
• b: 7.879 ± 0.0016 Å
• c: 18.951 ± 0.006 Å
• α: 90°
• β: 116.72 ± 0.02°
• γ: 90°
• Cell volume: 1653 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0606
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No