Information card for entry 4001687

Structure parameters

• Formula: C16 H16 Cl2 N2 O4 Pt
• Calculated formula: C16 H16 Cl2 N2 O4 Pt
• SMILES: CCOC(=O)c1cc[n]2c(c1)c1cc(cc[n]1[Pt]2(Cl)Cl)C(=O)OCC
• 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: 9.1145 ± 0.0004 Å
• b: 14.6632 ± 0.0007 Å
• c: 15.2749 ± 0.0007 Å
• α: 61.445 ± 0.003°
• β: 82.988 ± 0.003°
• γ: 84.057 ± 0.003°
• Cell volume: 1777.33 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No