Information card for entry 4083374

Structure parameters

• Formula: C29 H12 Cl13 D13 N4 Pd2
• Calculated formula: C29 H12 Cl13 D13 N4 Pd2
• SMILES: [Pd]1(c2cc(Cl)ccc2C=[N]1CC[N]1[Pd](c2c(C=1)ccc(Cl)c2)(Cl)[n]1c([2H])c([2H])c([2H])c([2H])c1[2H])(Cl)[n]1c([2H])c([2H])c([2H])c([2H])c1[2H].C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl
• Title of publication: A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity
• Authors of publication: Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2862
• a: 11.279 ± 0.005 Å
• b: 17.485 ± 0.005 Å
• c: 20.611 ± 0.007 Å
• α: 90°
• β: 92.57 ± 0.02°
• γ: 90°
• Cell volume: 4061 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No