Information card for entry 1540456

Structure parameters

• Common name: [Fc2-NHC)2Au][I]
• Formula: C50 H48 Au Fe4 I N4
• Calculated formula: C50 H48 Au Fe4 I N4
• SMILES: [Au](=C1N(C=CN1C[c]12[cH]3[Fe]4567891([cH]2[cH]7[cH]38)[cH]1[cH]4[cH]5[cH]6[cH]91)C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)=C1N(C=CN1C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61.[I-]
• 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: 12.3866 ± 0.00231 Å
• b: 12.62423 ± 0.00237 Å
• c: 15.23356 ± 0.00286 Å
• α: 90.566 ± 0.0045°
• β: 98.3173 ± 0.004°
• γ: 114.321 ± 0.004°
• Cell volume: 2141.5 ± 0.7 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: 0.0724
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No