Information card for entry 7012246

Structure parameters

• Common name: 01SW054
• Formula: C34 H48 Cl4 N4 O2 Pd2
• Calculated formula: C34 H48 Cl4 N4 O2 Pd2
• SMILES: c1(cccc(c1N1C(N(C=C1)COC)=[Pd]1([Cl][Pd](=C2N(c3c(cccc3C(C)C)C(C)C)C=CN2COC)(Cl)[Cl]1)Cl)C(C)C)C(C)C
• 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: 21.6662 ± 0.0003 Å
• b: 13.5597 ± 0.0003 Å
• c: 16.6211 ± 0.0004 Å
• α: 90°
• β: 129.24 ± 0.001°
• γ: 90°
• Cell volume: 3781.95 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No