Information card for entry 2007051

Structure parameters

• Common name: Butadiynyl(cyclopentadienyl)(triphenylphosphine)nickel(II)
• Chemical name: 1,3-Butadiynyl(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)
• Formula: C27 H21 Ni P
• Calculated formula: C27 H21 Ni P
• Title of publication: (1,3-Butadiynyl-<i>C</i>^1^)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)
• Authors of publication: Gallagher, John F.; Butler, Peter; Manning, Anthony R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 342 - 345
• a: 9.9029 ± 0.0007 Å
• b: 10.1259 ± 0.0006 Å
• c: 11.6523 ± 0.0011 Å
• α: 79.919 ± 0.006°
• β: 76.972 ± 0.006°
• γ: 75.994 ± 0.005°
• Cell volume: 1095.52 ± 0.15 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No