Information card for entry 2012031

Structure parameters

• Chemical name: Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) - form A at 150 K
• Formula: C26 H24 Cl2 Ni P2
• Calculated formula: C26 H24 Cl2 Ni P2
• SMILES: [Ni]1(Cl)(Cl)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.2779 ± 0.0003 Å
• b: 13.3386 ± 0.0004 Å
• c: 15.8739 ± 0.0005 Å
• α: 90°
• β: 98.7953 ± 0.0016°
• γ: 90°
• Cell volume: 2359.85 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes