Information card for entry 7035262

Structure parameters

• Formula: C19.5 H25 Au Cl F6 N4 O0.5 P2
• Calculated formula: C19.5 H25 Au Cl F6 N4 O0.5 P2
• SMILES: c12ccccc1Cc1cccc[n]1[Au]2([P]12CN3CN(C2)CN(C1)C3)Cl.[P](F)(F)(F)(F)(F)[F-].CC(=O)C
• Title of publication: Exploring the potential of gold(iii) cyclometallated compounds as cytotoxic agents: variations on the C^N theme.
• Authors of publication: Bertrand, B.; Spreckelmeyer, S.; Bodio, E.; Cocco, F.; Picquet, M.; Richard, P.; Le Gendre, P.; Orvig, C.; Cinellu, M. A.; Casini, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11911 - 11918
• a: 13.3224 ± 0.0009 Å
• b: 17.207 ± 0.0013 Å
• c: 20.8871 ± 0.0017 Å
• α: 90°
• β: 101.168 ± 0.003°
• γ: 90°
• Cell volume: 4697.5 ± 0.6 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No