Information card for entry 7717737

Structure parameters

• Common name: [((1,5-Me2COD)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[(1,5-dimethylcycloocta-1,5-diene)]-di-platinum(ii) bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]borate)
• Formula: C90 H56 B2 F48 Pt2 S8
• Calculated formula: C90 H56 B2 F48 Pt2 S8
• 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: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 908 - 914
• a: 13.4282 ± 0.0008 Å
• b: 15.2001 ± 0.0009 Å
• c: 24.6605 ± 0.0015 Å
• α: 90°
• β: 103.942 ± 0.001°
• γ: 90°
• Cell volume: 4885.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No