Information card for entry 1512879

Structure parameters

• Formula: C33 H31 Ag N2 O2
• Calculated formula: C33 H31 Ag N2 O2
• SMILES: [Ag](=C1N(Cc2ccccc2)C(c2ccc(C)cc2)=C(c2ccc(C)cc2)N1Cc1ccccc1)OC(=O)C
• Title of publication: Synthesis and biological evaluation of <i>N</i>-heterocyclic carbene-silver(I) acetate complexes derived from 4,5-ditolyl-imidazole
• Authors of publication: Frauke Hackenberg; Grainne Lally; Helge Müller-Bunz; Francesca Paradisi; Daniela Quaglia; Wojciech Streciwilk; Matthias Tacke
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 135 - 144
• a: 12.1787 ± 0.0001 Å
• b: 8.77455 ± 0.00007 Å
• c: 25.4346 ± 0.0002 Å
• α: 90°
• β: 98.4644 ± 0.0008°
• γ: 90°
• Cell volume: 2688.4 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No