Information card for entry 4110261

Structure parameters

• Formula: C19 H23 Cl2 N3 Pd
• Calculated formula: C19 H23 Cl2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1Cc1ccccc1)C(C)(C)C
• Title of publication: Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes
• Authors of publication: Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15042 - 15053
• a: 13.3056 ± 0.0003 Å
• b: 10.0597 ± 0.0003 Å
• c: 15.6576 ± 0.0003 Å
• α: 90°
• β: 104.898 ± 0.002°
• γ: 90°
• Cell volume: 2025.33 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No