Information card for entry 7127461

Structure parameters

• Formula: C80 H86 N4 O4 Pt2
• Calculated formula: C42.6667 N2.13333 O2.63333 Pt1.06667
• Title of publication: Experimental and theoretical studies on circularly polarized phosphorescence of a [2.2]paracyclophane-based platinum(ii) complex.
• Authors of publication: Inoue, Ryo; Kondo, Riki; Morisaki, Yasuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 98
• Pages of publication: 15438 - 15441
• a: 21.7528 ± 0.0003 Å
• b: 51.3282 ± 0.0005 Å
• c: 22.4375 ± 0.0003 Å
• α: 90°
• β: 113.392 ± 0.0017°
• γ: 90°
• Cell volume: 22993.2 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No