Information card for entry 7023233

Structure parameters

• Formula: C26 H38 Au F6 N4 P
• Calculated formula: C26 H38 Au F6 N4 P
• SMILES: [Au](=C1N(c2ccccc2N1CC(C)C)CC(C)C)=C1N2N(CCCC2)C2CCCCC1=2.[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: 11 ± 0.003 Å
• b: 12.126 ± 0.003 Å
• c: 12.426 ± 0.003 Å
• α: 109.051 ± 0.005°
• β: 98.373 ± 0.005°
• γ: 108.802 ± 0.005°
• Cell volume: 1423.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No