Information card for entry 8105265

Structure parameters

• Formula: C29 H24 Cl N2 P Pd
• Calculated formula: C29 H24 Cl N2 P Pd
• SMILES: [Pd]1(c2c(c3[n]1cccn3)ccc(c2)C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (2-p-tolylpyrimidine-κ2 C,N)(triphenylphosphane-κ P) palladium(II), C29H24ClN2PPd
• Authors of publication: Liu, Hui; Lou, Xin-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 713 - 715
• a: 9.9885 ± 0.0008 Å
• b: 11.5836 ± 0.0008 Å
• c: 11.6133 ± 0.0009 Å
• α: 76.342 ± 0.006°
• β: 89.821 ± 0.006°
• γ: 71.435 ± 0.007°
• Cell volume: 1233.96 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0391
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No