Information card for entry 2219516

Structure parameters

• Chemical name: <i>trans</i>-(4-Acetylnaphthyl)chloridobis(triphenylphosphine-κP)nickel(II) dichloromethane solvate
• Formula: C49 H41 Cl3 Ni O P2
• Calculated formula: C49 H41 Cl3 Ni O P2
• SMILES: [Ni]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)c1ccc(c2ccccc12)C(=O)C.C(Cl)Cl
• Title of publication: <i>trans</i>-(4-Acetylnaphthyl)chloridobis(triphenylphosphine-κ<i>P</i>)nickel(II) dichloromethane solvate
• Authors of publication: Liu, Yu-Hua; Chen, Chen; Yang, Lian-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1225
• a: 21.203 ± 0.004 Å
• b: 10.957 ± 0.002 Å
• c: 21.048 ± 0.004 Å
• α: 90°
• β: 117.95 ± 0.03°
• γ: 90°
• Cell volume: 4319.5 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1372
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes