Information card for entry 7709730

Structure parameters

• Formula: C34 H38 Cl7 N P2 Pd S2
• Calculated formula: C34 H38 Cl7 N P2 Pd S2
• Title of publication: Synthesis of carbon-11 radiolabelled transition metal complexes using 11C-dithiocarbamates
• Authors of publication: Cesarec, Sara; Edgar, Fraser; Lai, Titan; White, Andrew J. P.; Plisson, Christophe; Miller, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.3553 ± 0.0002 Å
• b: 15.377 ± 0.0002 Å
• c: 17.2255 ± 0.0004 Å
• α: 91.6478 ± 0.0016°
• β: 92.6572 ± 0.0016°
• γ: 92.2153 ± 0.0012°
• Cell volume: 4057.95 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0476
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No