Information card for entry 1540455

Structure parameters

• Common name: [(Fc2-NHC)2Au][Cl]
• Formula: C94 H100 Au2 Cl6 Fe4 N8
• Calculated formula: C94 H100 Au2 Cl6 Fe4 N8
• Title of publication: Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
• Authors of publication: Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1245 - 1256
• a: 27.57803 ± 0.00073 Å
• b: 11.91923 ± 0.00033 Å
• c: 27.111 ± 0.00073 Å
• α: 90 ± 0°
• β: 95.085 ± 0.0008°
• γ: 90 ± 0°
• Cell volume: 8876.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No