Information card for entry 7105393

Structure parameters

• Formula: C52 H61.33 Ag B F3 N6 O5.17 S
• Calculated formula: C52 H48 Ag B F3 N6 O5.16667 S
• Title of publication: Multiple topological isomerism of three-connected networks in silver-based metal‒organoboron frameworks
• Authors of publication: Liu, Yan; Xu, Xin; Xia, Qingchun; Yuan, Guozan; He, Qizhuang; Cui, Yong
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2608
• a: 13.6581 ± 0.0002 Å
• b: 32.4156 ± 0.0005 Å
• c: 40.5791 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17965.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No