Information card for entry 4088363

Structure parameters

• Common name: 11 in manuscript
• Formula: C34 H49 Cl4 N3 Pd
• Calculated formula: C34 H49 Cl4 N3 Pd
• SMILES: [Pd](=C1N2[C@H](CCN1c1c(cccc1C(C)C)C(C)C)CCCC2)(Cl)(Cl)C#[N]c1c(cccc1C(C)C)C(C)C.C(Cl)Cl
• Title of publication: Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route
• Authors of publication: Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1070
• a: 10.28 ± 0.003 Å
• b: 15.25 ± 0.004 Å
• c: 12.261 ± 0.003 Å
• α: 90°
• β: 105.961 ± 0.005°
• γ: 90°
• Cell volume: 1848.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No