Information card for entry 4325842

Structure parameters

• Formula: C98 H96 Ag2 F6 O10 P4 S2
• Calculated formula: C98 H96 Ag2 F6 O10 P4 S2
• Title of publication: Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings
• Authors of publication: Jian Hu; Minh-Hai Nguyen; John H. K. Yip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7429 - 7439
• a: 33.243 ± 0.007 Å
• b: 13.339 ± 0.003 Å
• c: 24.388 ± 0.006 Å
• α: 90°
• β: 116.413 ± 0.008°
• γ: 90°
• Cell volume: 9685 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No