Information card for entry 4001038

Structure parameters

• Formula: C37 H47 N O4 Pt
• Calculated formula: C37 H47 N O4 Pt
• SMILES: CC1=CC(=[O][Pt]2(O1)c1c(c3c4c(c(c[n]23)c2ccc(cc2)OCCCCCC)CCC4)ccc(c1)OCCCCCC)C
• 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: 11.5266 ± 0.0007 Å
• b: 11.5631 ± 0.0007 Å
• c: 13.0188 ± 0.0008 Å
• α: 102.94 ± 0.001°
• β: 90.928 ± 0.001°
• γ: 109.123 ± 0.001°
• Cell volume: 1590.23 ± 0.17 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: 0.0274
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No