Information card for entry 7126639

Structure parameters

• Formula: C52 H60 Au F6 N4 O3 P
• Calculated formula: C52 H60 Au F6 N4 O3 P
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1CCOC(=O)Oc1cc2ccccc2cc1)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.
• Authors of publication: Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 57
• Pages of publication: 7877 - 7880
• a: 16.4786 ± 0.0001 Å
• b: 22.1586 ± 0.0001 Å
• c: 27.4653 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10028.8 ± 0.11 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No