Information card for entry 4312743

Structure parameters

• Formula: C100 H111 Ag3 B3 F12 N41 O6
• Calculated formula: C99.96 H110.94 Ag3 B3 F12 N40.98 O6
• 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: 15.8004 ± 0.0008 Å
• b: 29.8519 ± 0.0014 Å
• c: 24.8588 ± 0.0012 Å
• α: 90°
• β: 99.66 ± 0.001°
• γ: 90°
• Cell volume: 11558.9 ± 1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No