Information card for entry 1514856

Structure parameters

• Chemical name: Dichlorobis(3-allyl-1-butylimdazolium)palladium(II)
• Formula: C20 H32 Cl2 N4 Pd
• Calculated formula: C20 H32 Cl2 N4 Pd
• SMILES: [Pd](Cl)(Cl)(=C1N(CC=C)C=CN1CCCC)=C1N(CC=C)C=CN1CCCC
• 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: 7.5573 ± 0.0008 Å
• b: 14.3118 ± 0.0015 Å
• c: 22.254 ± 0.002 Å
• α: 90°
• β: 94.258 ± 0.002°
• γ: 90°
• Cell volume: 2400.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1016
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No