Information card for entry 4312744

Structure parameters

• Formula: C167 H165 Ag5 F15 N75 O27 S5
• Calculated formula: C162 H165 Ag5 N75 O12
• Title of publication: Synthesis of Open and Closed Metallacages Using Novel Tripodal Ligands: Unusually Stable Silver(I) Inclusion Compound
• Authors of publication: Daniel L. Reger; Radu F. Semeniuc; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8137 - 8139
• a: 44.632 ± 0.002 Å
• b: 17.9597 ± 0.0009 Å
• c: 30.291 ± 0.0014 Å
• α: 90°
• β: 105.043 ± 0.001°
• γ: 90°
• Cell volume: 23448.5 ± 1.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No