Information card for entry 8105778

Structure parameters

• Formula: C23 H29 Cl2 N3 O2 Pd
• Calculated formula: C23 H29 Cl2 N3 O2 Pd
• Title of publication: The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
• Authors of publication: Sun, Kai-Xin; Wu, Xiang-Ting; Li, Guo-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 555 - 557
• a: 8.7287 ± 0.0006 Å
• b: 31.5431 ± 0.0018 Å
• c: 9.5605 ± 0.0006 Å
• α: 90°
• β: 108.893 ± 0.002°
• γ: 90°
• Cell volume: 2490.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No