Information card for entry 7012242

Structure parameters

• Common name: 00SKL043
• Formula: C28 H33 N3 O3 Pd S
• Calculated formula: C28 H33 N3 O3 Pd S
• SMILES: C12=[Pd](C)([n]3ccccc3N1C=CN2c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)c1ccc(cc1)C
• 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: 15.0071 ± 0.0002 Å
• b: 11.7722 ± 0.0002 Å
• c: 16.2981 ± 0.0002 Å
• α: 90°
• β: 110.042 ± 0.001°
• γ: 90°
• Cell volume: 2704.96 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No