Information card for entry 7012247

Structure parameters

• Common name: 01sw053
• Formula: C34 H48 Cl2 N4 O2 Pd
• Calculated formula: C34 H48 Cl2 N4 O2 Pd
• SMILES: C1(N(C=CN1c1c(C(C)C)cccc1C(C)C)COC)=[Pd](Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)COC)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: 8.112 ± 0.0002 Å
• b: 9.1241 ± 0.0002 Å
• c: 12.5173 ± 0.0004 Å
• α: 74.511 ± 0.001°
• β: 78.054 ± 0.001°
• γ: 79.538 ± 0.001°
• Cell volume: 865.61 ± 0.04 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: 0.0455
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No