Information card for entry 4001037

Structure parameters

• Formula: C34 H43 N O4 Pt
• Calculated formula: C34 H43 N O4 Pt
• SMILES: CCCCCCOc1ccc2c(c1)[Pt]1(OC(=CC(=[O]1)C)C)[n]1c2ccc(c1)c1ccc(cc1)OCCCCCC
• Title of publication: Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)
• Authors of publication: Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3871
• a: 11.6719 ± 0.0006 Å
• b: 13.2121 ± 0.0007 Å
• c: 20.8465 ± 0.0011 Å
• α: 72.96 ± 0.001°
• β: 80.787 ± 0.001°
• γ: 86.489 ± 0.001°
• Cell volume: 3033.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No