Information card for entry 8107126

Structure parameters

• Formula: C28 H27 Cl2 N3 Pd
• Calculated formula: C28 H27 Cl2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccc2ccccc2c1)=C1N(C=CN1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
• Authors of publication: Liu, Feng; Li, Guo-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1145 - 1147
• a: 24.7394 ± 0.0017 Å
• b: 15.9451 ± 0.0011 Å
• c: 27.4301 ± 0.0019 Å
• α: 90°
• β: 107.865 ± 0.001°
• γ: 90°
• Cell volume: 10298.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No