Information card for entry 7009099

Structure parameters

• Formula: C56 H44 B Cl4 F4 P4 Pd0.5 S4
• Calculated formula: C56.06 H44.48 B Cl4 F4 P4 Pd0.5 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: 17.0665 ± 0.0008 Å
• b: 19.0941 ± 0.0009 Å
• c: 19.2877 ± 0.001 Å
• α: 90°
• β: 115.138 ± 0.001°
• γ: 90°
• Cell volume: 5690 ± 0.5 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: 0.123
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No