Information card for entry 8105249

Structure parameters

• Formula: C30 H26 Cl N2 P Pd
• Calculated formula: C30 H26 Cl N2 P Pd
• SMILES: [Pd]1(c2cc(ccc2c2[n]1cccn2)CC)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of chlorido (2-(4-ethylphenyl)pyrimidine-k2 C,N)(triphenylphosphane-kP) palladium(II), C30H26ClN2PPd
• 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: 659 - 661
• a: 9.1278 ± 0.0005 Å
• b: 9.5892 ± 0.0007 Å
• c: 15.5255 ± 0.001 Å
• α: 79.827 ± 0.006°
• β: 89.131 ± 0.005°
• γ: 78.358 ± 0.005°
• Cell volume: 1309.74 ± 0.15 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: 0.0447
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No