Information card for entry 7705298

Structure parameters

• Formula: C31 H23 N O2 Pt
• Calculated formula: C31 H23 N O2 Pt
• SMILES: [Pt]12(c3c(c4c5c(c3)c3c6c(c5ccc4)cccc6ccc3)c3[n]2ccc(c3)C)[O]=C(C)C=C(O1)C
• Title of publication: Fluorescent perylenylpyridine complexes: an experimental and theoretical study.
• Authors of publication: Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13326 - 13338
• a: 7.845 ± 0.0002 Å
• b: 19.7471 ± 0.0006 Å
• c: 29.7999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4616.5 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No