Information card for entry 7034591

Structure parameters

• Chemical name: chloro(1-phenyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)-1H-imidazol-3-ium-2-yl)aurate(I)
• Formula: C18 H25 Au B Cl N2 O2
• Calculated formula: C18 H25 Au B Cl N2 O2
• SMILES: C1(N(C=CN1c1ccccc1)CCCB1OC(C(C)(C)O1)(C)C)=[Au]Cl
• Title of publication: Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.
• Authors of publication: Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7139 - 7143
• a: 32.549 ± 0.0006 Å
• b: 9.5091 ± 0.0002 Å
• c: 13.6925 ± 0.0002 Å
• α: 90°
• β: 99.475 ± 0.002°
• γ: 90°
• Cell volume: 4180.17 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No