Information card for entry 4085069

Structure parameters

• Common name: Compound 6.3(C6H6)
• Formula: C101 H133 Au N4 O2
• Calculated formula: C101 H131 Au N4 O2
• SMILES: [Au](=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C.C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)c1cc(c([O-])c(c1)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.
• Authors of publication: Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2098 - 2101
• a: 15.1887 ± 0.0011 Å
• b: 24.4609 ± 0.0017 Å
• c: 24.3362 ± 0.0017 Å
• α: 90°
• β: 94.2705 ± 0.0011°
• γ: 90°
• Cell volume: 9016.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.157
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2919
• Weighted residual factors for all reflections included in the refinement: 0.3103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No