Information card for entry 4331464

Structure parameters

• Formula: C34 H36 Ag F3 N12 O6 S
• Calculated formula: C34 H36 Ag F3 N12 O6 S
• Title of publication: Synthesis of a tritopic, third-generation bis(1-pyrazolyl)methane ligand and its silver(I) complex: Unexpected structure with high coordination numbers
• Authors of publication: Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2010
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 568 - 572
• a: 12.8898 ± 0.0008 Å
• b: 13.2775 ± 0.0008 Å
• c: 22.3559 ± 0.0014 Å
• α: 90°
• β: 91.011 ± 0.001°
• γ: 90°
• Cell volume: 3825.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No