Information card for entry 4001688

Structure parameters

• Formula: C46 H74 Cl8 N2 O4 Pt
• Calculated formula: C46 H74 Cl8 N2 O4 Pt
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.CCCCCCCCCCCCCCCCOC(=O)c1cc[n]2c(c1)c1cc(cc[n]1[Pt]2(Cl)Cl)C(=O)OCCCCCCCCCCCCCCCC
• 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: 7.2871 ± 0.0005 Å
• b: 11.8947 ± 0.0008 Å
• c: 31.3949 ± 0.002 Å
• α: 94.642 ± 0.004°
• β: 90.283 ± 0.004°
• γ: 95.377 ± 0.004°
• Cell volume: 2700.2 ± 0.3 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: 0.096
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No