Information card for entry 2012030

Structure parameters

• Chemical name: Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 293 K)
• Formula: C26 H24 Cl2 Ni P2
• Calculated formula: C26 H24 Cl2 Ni P2
• SMILES: [Ni]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)
• Authors of publication: Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 690 - 693
• a: 12.5688 ± 0.0015 Å
• b: 8.0208 ± 0.0008 Å
• c: 13.0871 ± 0.0009 Å
• α: 90°
• β: 105.531 ± 0.004°
• γ: 90°
• Cell volume: 1271.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes