Information card for entry 1513053

Structure parameters

• Formula: C21 H24 N2 O14
• Calculated formula: C21 H24 N2 O14
• SMILES: [O-]C(=O)c1cc(ccc1C(=O)O)C(=O)O.[O-]C(=O)c1cc(ccc1C(=O)O)C(=O)O.[NH3+]CCC[NH3+].O.O
• Title of publication: Organometallic silver(I) and zinc(II) catalysing coupling processes of polysubstituted benzoic acids
• Authors of publication: Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Chemical Engineering Journal
• Year of publication: 2013
• Journal volume: 232
• Pages of publication: 118
• a: 6.6876 ± 0.001 Å
• b: 25.062 ± 0.004 Å
• c: 13.824 ± 0.002 Å
• α: 90°
• β: 98.293 ± 0.005°
• γ: 90°
• Cell volume: 2292.7 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No