Information card for entry 7244809

Structure parameters

• Chemical name: Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)
• Formula: C14 H12 N4 O8 Pd
• Calculated formula: C14 H12 N4 O8 Pd
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)C(=O)OC)cc(cc2)C(=O)OC)(N(=O)=O)N(=O)=O
• Title of publication: Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]
• Authors of publication: Hatcher, Lauren E.; Coulson, Ben A.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.4629 ± 0.0003 Å
• b: 7.7277 ± 0.0003 Å
• c: 24.8938 ± 0.0007 Å
• α: 90°
• β: 95.196 ± 0.003°
• γ: 90°
• Cell volume: 1621.33 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No