Information card for entry 7015984

Structure parameters

• Formula: C46 H62 Au F6 N3 P2 S
• Calculated formula: C46 H62 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: 10.9296 ± 0.0002 Å
• b: 13.9751 ± 0.0003 Å
• c: 17.0449 ± 0.0003 Å
• α: 105.276 ± 0.0019°
• β: 103.29 ± 0.0018°
• γ: 101.594 ± 0.0018°
• Cell volume: 2347.48 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0266
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No