Information card for entry 7001704

Structure parameters

• Formula: C94 H79 Cl9 F9 N2 Na O13 P4 Pt2 S3
• Calculated formula: C94 H79 Cl9 F9 N2 Na O13 P4 Pt2 S3
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cc(ccc2)CCC2=[O][Na]3([O]=C(O1)CCc1c[n]([Pt]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)O2)ccc1)(OS(=O)(=O)C(F)(F)F)[O]=S(O3)(C(F)(F)F)=O.C(F)(F)(F)S(=O)(=O)[O-].ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Na+ and Ca2+ ion selective pyridylcarboxylate rings of Pd(II) and Pt(II)
• Authors of publication: Teo, Peili; Koh, L. L.; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5637
• a: 49.267 ± 0.004 Å
• b: 11.0373 ± 0.001 Å
• c: 19.4584 ± 0.0016 Å
• α: 90°
• β: 100.375 ± 0.002°
• γ: 90°
• Cell volume: 10408 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 10
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No