Information card for entry 4083372

Structure parameters

• Formula: C30 H18 Cl8 D12 N4 O2 Pd2
• Calculated formula: C30 H18 Cl8 D12 N4 O2 Pd2
• SMILES: c12cc(ccc1C=[N](CC[N]1=Cc3c([Pd]1([n]1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])Cl)cc(cc3)OC)[Pd]2([n]1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])Cl)OC.C(Cl)(Cl)([2H])Cl.C(Cl)(Cl)(Cl)[2H]
• 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: 11.573 ± 0.006 Å
• b: 8.563 ± 0.003 Å
• c: 19.512 ± 0.008 Å
• α: 90°
• β: 104.6 ± 0.03°
• γ: 90°
• Cell volume: 1871.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1075
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No