Information card for entry 4080681

Structure parameters

• Common name: 4 in manuscript
• Formula: C34 H40 Au Br2 Cl3 N2 O
• Calculated formula: C34 H40 Au Br2 Cl3 N2 O
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)Oc1cc(cc(c1)Br)Br.ClC(Cl)Cl
• Title of publication: Gold Phenolate Complexes: Synthesis, Structure, and Reactivity
• Authors of publication: Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2576
• a: 12.1367 ± 0.0013 Å
• b: 12.5252 ± 0.0013 Å
• c: 13.7251 ± 0.0015 Å
• α: 70.042 ± 0.002°
• β: 83.825 ± 0.002°
• γ: 72.231 ± 0.002°
• Cell volume: 1867.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No