Information card for entry 7012296

Structure parameters

• Common name: 01SW048
• Formula: C42 H49 Br N4 O Pd
• Calculated formula: C42 H49 Br N4 O Pd
• Title of publication: Chelating and 'pincer' dicarbene complexes of palladium; synthesis and structural studiesElectronic supplementary information (ESI) available: crystallographic data and ORTEP plot for compound 5c. See http://www.rsc.org/suppdata/dt/b2/b209739g/
• Authors of publication: Danopoulos, Andreas A.; Tulloch, Arran A. D.; Winston, Scott; Eastham, Graham; Hursthouse, Michael B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 1009
• a: 12.0839 ± 0.0002 Å
• b: 15.3863 ± 0.0003 Å
• c: 20.9393 ± 0.0005 Å
• α: 90°
• β: 90.389 ± 0.001°
• γ: 90°
• Cell volume: 3893.08 ± 0.14 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: 0.0617
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No