Information card for entry 2005363

Structure parameters

• Formula: C29 H24 Cl Ni P S
• Calculated formula: C34 H19 Cl Ni P S
• Title of publication: (4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)
• Authors of publication: Darkwa, J.; Milius, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2159 - 2161
• a: 9.743 ± 0.002 Å
• b: 11.574 ± 0.002 Å
• c: 12.184 ± 0.002 Å
• α: 79.89 ± 0.02°
• β: 69.17 ± 0.02°
• γ: 81.32 ± 0.02°
• Cell volume: 1258.3 ± 0.4 ų
• Cell temperature: 276 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No