Information card for entry 7201731

Structure parameters

• Formula: C35 H37 N O10 Pt
• Calculated formula: C35 H37 N O10 Pt
• SMILES: [Pt]12(c3c(c4[n]2cc(cc4)C)c(OC)c(OC)cc3)OC(=CC(=[O]1)c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Columnar mesophases from half-discoid platinum cyclometalated metallomesogens
• Authors of publication: Venkatesan, Koushik; Kouwer, Paul H. J.; Yagi, Shigeyuki; Müller, Peter; Swager, Timothy M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 400
• a: 10.484 ± 0.003 Å
• b: 10.86 ± 0.003 Å
• c: 14.752 ± 0.003 Å
• α: 93.617 ± 0.004°
• β: 104.214 ± 0.004°
• γ: 98.912 ± 0.004°
• Cell volume: 1599.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No