Information card for entry 7717733

Structure parameters

• Common name: [((hexadiene)Pt)2Ttftt](BArF4)2
• Chemical name: (μ-1,1',3,3'-tetrathiafulvalene-4,4',5,5'-tetrathiolato cation)-bis(hexa-1,5-diene)-di-platinum(ii) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate dichloromethane solvate
• Formula: C83 H46 B2 Cl2 F48 Pt2 S8
• Calculated formula: C83 H46 B2 Cl2 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: 2024
• a: 12.7858 ± 0.0005 Å
• b: 19.3482 ± 0.0006 Å
• c: 20.0914 ± 0.0006 Å
• α: 81.874 ± 0.003°
• β: 71.534 ± 0.003°
• γ: 78.323 ± 0.003°
• Cell volume: 4600.8 ± 0.3 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1973
• Residual factor for significantly intense reflections: 0.1632
• Weighted residual factors for significantly intense reflections: 0.3507
• Weighted residual factors for all reflections included in the refinement: 0.3697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No