Information card for entry 7055539

Structure parameters

• Formula: C28 H25 Au F6 N7 P
• Calculated formula: C28 H25 Au F6 N7 P
• SMILES: [Au](=C1N2C(C=CC=C2)=CN1c1nc(C)ccc1)=C1N2C(=CN1c1nc(ccc1)C)C=CC=C2.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells
• Authors of publication: Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6289
• a: 7.6118 ± 0.001 Å
• b: 19.781 ± 0.003 Å
• c: 18.635 ± 0.002 Å
• α: 90°
• β: 90.601 ± 0.003°
• γ: 90°
• Cell volume: 2805.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No