Information card for entry 7012297

Structure parameters

• Common name: 01sw049
• Formula: C118 H145 Br3 N12 O Pd3
• Calculated formula: C118 H145 Br3 N12 O Pd3
• SMILES: C12N(C=CN1c1c(cccc1C(C)C)C(C)C)Cc1c3c(ccc1)CN1C=CN(C1=[Pd]=23Br)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• 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: 16.0118 ± 0.0006 Å
• b: 16.4652 ± 0.0006 Å
• c: 23.5036 ± 0.001 Å
• α: 110.001 ± 0.002°
• β: 96.44 ± 0.001°
• γ: 93.111 ± 0.002°
• Cell volume: 5757.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2882
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No