Information card for entry 7012245

Structure parameters

• Common name: 02sw091
• Formula: C96 H122 Br5.54 Cl6.46 N18 Pd4
• Calculated formula: C96 H122 Br5.54 Cl6.46 N18 Pd4
• 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: 12.515 ± 0.005 Å
• b: 15.993 ± 0.005 Å
• c: 16.428 ± 0.005 Å
• α: 114.512 ± 0.005°
• β: 108.155 ± 0.005°
• γ: 96.941 ± 0.005°
• Cell volume: 2721.3 ± 1.6 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: 0.1017
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No