Information card for entry 7050706

Structure parameters

• Formula: C32 H38 Cl2 N2 O16 Pd
• Calculated formula: C32 H38 Cl2 N2 O16 Pd
• SMILES: c1cc(C(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC)cc[n]1[Pd]([n]1ccc(cc1)C(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC)(Cl)Cl
• Title of publication: A novel molecular luminescent sensor for metal ions using deprotonated tetramethylpropane-1,1,3,3-tetracarboxylate as ionophore
• Authors of publication: Lee, Derek Y. K.; Lam, Michael H. W.; Wong, Wai-Yeung
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 330
• a: 9.5535 ± 0.0006 Å
• b: 9.6338 ± 0.0007 Å
• c: 21.1761 ± 0.0014 Å
• α: 90°
• β: 100.831 ± 0.001°
• γ: 90°
• Cell volume: 1914.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No