Information card for entry 4074529

Structure parameters

• Formula: C41 H55 Au N2 O9 S
• Calculated formula: C41 H55 Au N2 O9 S
• SMILES: [Au](S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties
• Authors of publication: de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 5824
• a: 10.9509 ± 0.0004 Å
• b: 13.9651 ± 0.0005 Å
• c: 28.37 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4338.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No