Information card for entry 7029886

Structure parameters

• Chemical name: Bis{2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(I) PF6
• Formula: C38 H44 Au F6 N4 P
• Calculated formula: C38 H44 Au F6 N4 P
• SMILES: c1(n2c(cccc2)cn1c1c(cccc1C(C)C)C(C)C)=[Au]=c1n2c(cccc2)cn1c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
• Authors of publication: Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8781 - 8791
• a: 8.6606 ± 0.0009 Å
• b: 10.3644 ± 0.0011 Å
• c: 11.0776 ± 0.0013 Å
• α: 83.862 ± 0.004°
• β: 74.229 ± 0.003°
• γ: 80.572 ± 0.004°
• Cell volume: 941.95 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No