Information card for entry 1514857

Structure parameters

• Chemical name: Dichlorobis(3-allyl-1-methylimidazolium)palladium(II)
• Formula: C14 H20 Br0 Cl2 N4 Pd
• Calculated formula: C14 H20 Cl2 N4 Pd
• SMILES: [Pd](Cl)(Cl)(=C1N(C=CN1CC=C)C)=C1N(C=CN1C)CC=C
• Title of publication: Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.
• Authors of publication: Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 760 - 769
• a: 7.5862 ± 0.0006 Å
• b: 7.6268 ± 0.0005 Å
• c: 8.196 ± 0.0005 Å
• α: 78.976 ± 0.001°
• β: 73.148 ± 0.002°
• γ: 69.472 ± 0.001°
• Cell volume: 422.9 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No