Information card for entry 2231716

Structure parameters

• Chemical name: <i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)
• Formula: C50 H39 Cl Ni P2
• Calculated formula: C50 H39 Cl Ni P2
• SMILES: [Ni](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2c2ccccc12
• Title of publication: <i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)
• Authors of publication: Lei, Xiangyang; Obregon, Karla A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1272
• a: 11.09 ± 0.005 Å
• b: 15.204 ± 0.007 Å
• c: 23.679 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3993 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes