Information card for entry 7012243

Structure parameters

• Common name: 01sw046
• Formula: C24 H36 Br N3 O Pd Si
• Calculated formula: C24 H36 Br N3 O Pd Si
• SMILES: C12=[Pd]([n]3c(ccc(c3)[Si](C)(C)C)N2C=CN1c1c(cccc1C(C)C)C(C)C)(Br)C.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: 15.5597 ± 0.0005 Å
• b: 11.7148 ± 0.0003 Å
• c: 30.3296 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5528.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.277
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No