Information card for entry 7009101

Structure parameters

• Formula: C56 H44 B Cl4 F4 P4 Pt0.5 S4
• Calculated formula: C56 H44 B Cl4 F4 P4 Pt0.5 S4
• Title of publication: Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with tetrathiafulvalene-functionalized phosphine ligands †
• Authors of publication: Smucker, Bradley W.; Dunbar, Kim R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1309
• a: 17.109 ± 0.003 Å
• b: 19.069 ± 0.004 Å
• c: 19.339 ± 0.004 Å
• α: 90°
• β: 115.17 ± 0.03°
• γ: 90°
• Cell volume: 5710 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No