Information card for entry 8107125

Structure parameters

• Formula: C34 H39 Cl2 N3 O2 Pd
• Calculated formula: C34 H39 Cl2 N3 O2 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccc2ccccc2c1)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O=C(OCC)C
• Title of publication: The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
• 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: 1143 - 1144
• a: 10.3988 ± 0.0008 Å
• b: 12.1983 ± 0.001 Å
• c: 12.9114 ± 0.001 Å
• α: 85.034 ± 0.001°
• β: 89.123 ± 0.001°
• γ: 79.519 ± 0.001°
• Cell volume: 1604.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No