Information card for entry 7023235

Structure parameters

• Formula: C29 H31 Au F6 N2 P2
• Calculated formula: C29 H31 Au F6 N2 P2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N2N(C3=C1CCCC3)CCCC2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.
• Authors of publication: Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12421 - 12428
• a: 20.319 ± 0.004 Å
• b: 13.683 ± 0.003 Å
• c: 10.2795 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2858 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No