Information card for entry 7012249

Structure parameters

• Common name: 99smc021
• Formula: C44 H38 Ag F9 N6 O6 Pd2
• Calculated formula: C48 H44 Ag F9 N6 O7 Pd2
• SMILES: [Ag]([O]=C(C(F)(F)F)O[Pd]1([n]2c(CN3C=1N(C=C3)c1c(cc(cc1C)C)C)cccc2)C)([O]=C(C(F)(F)F)O[Pd]1([n]2c(CN3C=1N(C=C3)c1c(cc(cc1C)C)C)cccc2)C)OC(=O)C(F)(F)F.OCC.O.O
• Title of publication: Functionalised and chelate heterocyclic carbene complexes of palladium; synthesis and structural studiesElectronic supplementary information (ESI) available: crystallographic data and ORTEP plots for complexes 4, 7, 8 and 13. See http://www.rsc.org/suppdata/dt/b2/b209231j/
• Authors of publication: Tulloch, Arran A. D.; Winston, Scott; Danopoulos, Andreas A.; Eastham, Graham; Hursthouse, Michael B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 699
• a: 13.918 ± 0.003 Å
• b: 15.726 ± 0.003 Å
• c: 15.906 ± 0.003 Å
• α: 113.86 ± 0.03°
• β: 97.85 ± 0.03°
• γ: 113.49 ± 0.03°
• Cell volume: 2729.8 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.4517
• Residual factor for significantly intense reflections: 0.2086
• Weighted residual factors for significantly intense reflections: 0.45
• Weighted residual factors for all reflections included in the refinement: 0.5535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No