Information card for entry 7001701

Structure parameters

• Formula: C95 H86 Cl12 F9 Fe2 N2 Na O14 P4 Pt2 S3
• Calculated formula: C95 H86 Cl12 F9 Fe2 N2 Na O14 P4 Pt2 S3
• SMILES: c1c2ccc[n]1[Pt]1(OC3=[O][Na]([O]=C(CC2)O[Pt]2([n]4cc(ccc4)CC3)[P](c3ccccc3)([c]34[cH]5[Fe]6789%10%113([c]3([P]2(c2ccccc2)c2ccccc2)[cH]6[cH]7[cH]8[cH]93)[cH]4[cH]%10[cH]5%11)c2ccccc2)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)[P]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([P]1(c1ccccc1)c1ccccc1)[cH]2[cH]7[cH]8[cH]93)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.O=S(=O)(C(F)(F)F)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.CCOCC.ClC(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: 12.4821 ± 0.0017 Å
• b: 20.55 ± 0.003 Å
• c: 21.713 ± 0.003 Å
• α: 94.943 ± 0.002°
• β: 94.756 ± 0.002°
• γ: 100.886 ± 0.002°
• Cell volume: 5420.9 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 11
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No