Information card for entry 4315733

Structure parameters

• Formula: C36 H84 Ag11 Br3 O12 P6 Se13
• Calculated formula: C36 H81 Ag11 Br3 O12 P6 Se13
• Title of publication: Structure, Photophysical Properties, and DFT Calculations of Selenide-Centered Pentacapped Trigonal Prismatic Silver(I) Clusters
• Authors of publication: C. W. Liu; Ching-Shiang Feng; Rei-Jen Fu; Hao-Wei Chang; Jean-Yves Saillard; Samia Kahlal; Ju-Chun Wang; I-Jy Chang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4934 - 4941
• a: 14.7044 ± 0.0011 Å
• b: 22.9372 ± 0.0017 Å
• c: 24.7295 ± 0.0019 Å
• α: 90°
• β: 91.928 ± 0.002°
• γ: 90°
• Cell volume: 8336 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1102
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No