Information card for entry 7015983

Structure parameters

• Formula: C46 H44 Au F6 N3 P2 S
• Calculated formula: C46 H44 Au F6 N3 P2 S
• SMILES: [Au](SC(=N\c1ccccc1)/c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Gold(i) complexes bearing mixed-donor ligands derived from N-heterocyclic carbenes.
• Authors of publication: Chia, Eugene Y.; Naeem, Saira; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6645 - 6658
• a: 13.3686 ± 0.0003 Å
• b: 13.7657 ± 0.0003 Å
• c: 14.622 ± 0.0004 Å
• α: 111.492 ± 0.002°
• β: 115.794 ± 0.002°
• γ: 90.107 ± 0.0017°
• Cell volume: 2212.12 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No