Information card for entry 7705300

Structure parameters

• Formula: C32 H26 I N O2 Pt
• Calculated formula: C32 H26 I N O2 Pt
• SMILES: [Pt]12(I)([O]=C(C)C=C(O1)C)([n]1c(c3c2cc2c4c3cccc4c3c4c2cccc4ccc3)cc(cc1)C)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: 7.7315 ± 0.0005 Å
• b: 12.3683 ± 0.0005 Å
• c: 13.9478 ± 0.0004 Å
• α: 80.964 ± 0.003°
• β: 84.5 ± 0.004°
• γ: 81.117 ± 0.004°
• Cell volume: 1297.91 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0482
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No