Information card for entry 2205361

Structure parameters

• Chemical name: bis[1,3-bis(diphenylphosphino)propane]nickel(0)
• Formula: C54 H52 Ni P4
• Calculated formula: C54 H52 Ni P4
• SMILES: [P]1([Ni]2([P](CCC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](CCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[1,3-bis(diphenylphosphino)propane-κ^2^<i>P</i>,<i>P</i>']nickel(0)
• Authors of publication: Davies, Sian C.; Duff, Samantha E.; Evans, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m571 - m573
• a: 18.303 ± 0.006 Å
• b: 13.212 ± 0.002 Å
• c: 20.023 ± 0.004 Å
• α: 90°
• β: 109.67 ± 0.02°
• γ: 90°
• Cell volume: 4559 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo_Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes