Information card for entry 2012557

Structure parameters

• Chemical name: Chlorobis(triphenylphosphine)nickel(I)
• Formula: C36 H30 Cl Ni P2
• Calculated formula: C36 H30 Cl Ni P2
• SMILES: [Ni](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chlorobis(triphenylphosphine)nickel(I)
• Authors of publication: Norman, Nicholas C.; Orpen, A Guy.; Quayle, Michael J.; Whittell, George R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m160 - m161
• a: 11.0778 ± 0.0011 Å
• b: 17.535 ± 0.002 Å
• c: 15.4159 ± 0.0018 Å
• α: 90°
• β: 98.722 ± 0.008°
• γ: 90°
• Cell volume: 2959.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes