Information card for entry 7055538

Structure parameters

• Formula: C13 H11 Au Cl3 N3
• Calculated formula: C13 H11 Au Cl3 N3
• SMILES: [Au](Cl)(Cl)(=c1n(cc2n1cccc2)c1cccc(n1)C)Cl
• 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: 7.8357 ± 0.0009 Å
• b: 9.7387 ± 0.0011 Å
• c: 11.0588 ± 0.0012 Å
• α: 115.506 ± 0.002°
• β: 92.671 ± 0.002°
• γ: 96.763 ± 0.002°
• Cell volume: 751.88 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No