Information card for entry 7059113

Structure parameters

• Formula: C18 H23 Ag Cl2 F3 N5 O3 S
• Calculated formula: C18 H23 Ag Cl2 F3 N5 O3 S
• Title of publication: New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand
• Authors of publication: Jana, Oishi; Mani, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 9361
• a: 12.6363 ± 0.0014 Å
• b: 13.8451 ± 0.0015 Å
• c: 14.632 ± 0.0017 Å
• α: 90°
• β: 101.824 ± 0.002°
• γ: 90°
• Cell volume: 2505.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No