Information card for entry 7023236

Structure parameters

• Formula: C29 H31 Au F6 N2 O3 P2
• Calculated formula: C29 H31 Au F6 N2 O3 P2
• SMILES: [Au]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)=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: 10.5523 ± 0.0006 Å
• b: 14.9858 ± 0.0008 Å
• c: 19.0095 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No