Information card for entry 7012244

Structure parameters

• Common name: 01sw044
• Formula: C24 H29 Br Cl4 F3 N3 Pd
• Calculated formula: C24 H29 Br Cl4 F3 N3 Pd
• SMILES: C(c1c[n]2c(N3C(=[Pd]2(Br)C)N(c2c(cccc2C(C)C)C(C)C)C=C3)cc1)(F)(F)F.C(Cl)Cl.C(Cl)Cl
• 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: 23.6757 ± 0.001 Å
• b: 13.4251 ± 0.0007 Å
• c: 18.6251 ± 0.0008 Å
• α: 90°
• β: 90.269 ± 0.003°
• γ: 90°
• Cell volume: 5919.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No