Information card for entry 7717734

Structure parameters

• Common name: [((NBD)Pt)2Ttftt](BArF4)2
• Chemical name: (μ-1,1',3,3'-tetrathiafulvalene-4,4',5,5'-tetrathiolato cation)-bis(norbornadiene)-di-platinum(ii) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
• Formula: C84.04 H40.03 B2 F48 Pt2 S8
• Calculated formula: C84.03 H40.03 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: 2024
• a: 12.4199 ± 0.0003 Å
• b: 21.1332 ± 0.0005 Å
• c: 21.2983 ± 0.0004 Å
• α: 77.134 ± 0.002°
• β: 73.854 ± 0.002°
• γ: 87.251 ± 0.002°
• Cell volume: 5234.3 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.1679
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No