Information card for entry 4001686

Structure parameters

• Formula: C15 H14 Cl4 N2 O4 Pt
• Calculated formula: C15 H14 Cl4 N2 O4 Pt
• SMILES: COC(=O)c1cc[n]2c(c1)c1cc(cc[n]1[Pt]2(Cl)Cl)C(=O)OC.ClCCl
• Title of publication: Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys
• Authors of publication: Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 23
• Pages of publication: 4517
• a: 17.2723 ± 0.0016 Å
• b: 6.7511 ± 0.0007 Å
• c: 17.6663 ± 0.0017 Å
• α: 90°
• β: 115.134 ± 0.006°
• γ: 90°
• Cell volume: 1865 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No