Information card for entry 2014287

Structure parameters

• Chemical name: Chloro(phenyl)(1H-pyrazole-κN^2^)(triphenylphosphine)palladium(II)
• Formula: C27 H24 Cl N2 P Pd
• Calculated formula: C27 H24 Cl N2 P Pd
• SMILES: [Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1[nH]ccc1)c1ccccc1
• Title of publication: Chloro(phenyl)(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Canty, Allan J.; Skelton, Brian W.; White, Allan, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m405 - m406
• a: 9.817 ± 0.002 Å
• b: 10.797 ± 0.005 Å
• c: 13.523 ± 0.007 Å
• α: 72.85 ± 0.04°
• β: 88.21 ± 0.03°
• γ: 63.55 ± 0.03°
• Cell volume: 1217.8 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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 all reflections: 0.038
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections: 1.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes