Information card for entry 4301293

Structure parameters

• Formula: C27 H32 Ag F6 N8 O3 P
• Calculated formula: C27 H32 Ag F6 N8 O3 P
• SMILES: [Ag]123[n]4cccn4C(COCc4cc(ccc4)COCC(n4ccc[n]24)n2ccc[n]32)n2ccc[n]12.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C
• Title of publication: Mononuclear Metallacyclic Silver(I) Complexes of Third Generation Bis(1-pyrazolyl)methane Ligands
• Authors of publication: Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 936 - 945
• a: 8.316 ± 0.0004 Å
• b: 15.94 ± 0.0008 Å
• c: 24.3866 ± 0.0012 Å
• α: 78.185 ± 0.001°
• β: 85.558 ± 0.001°
• γ: 83.09 ± 0.001°
• Cell volume: 3136.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No