Information card for entry 7717735

Structure parameters

• Common name: [((P(O(4-CF3-Ph)3)2)Pt)2Ttftt](BArF4)2
• Chemical name: (μ-2-[4,5-bis(sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dithiolato diradical dication)-bis[(para-trifluoromethylphenylphosphite)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)
• Formula: C77 H35 B F42 O6 P2 Pt S4
• Calculated formula: C77 H35 B F42 O6 P2 Pt S4
• Title of publication: Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids.
• Authors of publication: Lopez, Nathan E.; McNamara, Lauren E.; Anferov, Sophie W.; Anderson, John S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 14.63 ± 0.004 Å
• b: 15.47 ± 0.004 Å
• c: 19.5 ± 0.005 Å
• α: 77.831 ± 0.008°
• β: 78.221 ± 0.008°
• γ: 79.506 ± 0.009°
• Cell volume: 4178.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2834
• Residual factor for significantly intense reflections: 0.2214
• Weighted residual factors for significantly intense reflections: 0.5152
• Weighted residual factors for all reflections included in the refinement: 0.553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No