Information card for entry 7012248

Structure parameters

• Common name: 01sot040
• Formula: C36 H50 Cl2 N6 O2 Pd
• Calculated formula: C36 H50 Cl2 N6 O2 Pd
• SMILES: C1(N(C=CN1CC(=O)N(CC)CC)c1c(cc(cc1C)C)C)=[Pd](Cl)(=C1N(C=CN1CC(=O)N(CC)CC)c1c(cc(cc1C)C)C)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: 11.448 ± 0.002 Å
• b: 10.01 ± 0.002 Å
• c: 16.985 ± 0.003 Å
• α: 90°
• β: 103.99 ± 0.03°
• γ: 90°
• Cell volume: 1888.7 ± 0.7 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: 0.0529
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No