Information card for entry 7118595

Structure parameters

• Chemical name: PCN-99
• Formula: C108 H48 In3 N12 O24
• Calculated formula: C108 H48 In3 N12 O24
• Title of publication: Topology-guided design of an anionic bor-network for photocatalytic [Ru(bpy)3](2+) encapsulation.
• Authors of publication: Wang, Xuan; Lu, Weigang; Gu, Zhi-Yuan; Wei, Zhangwen; Zhou, Hong-Cai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 1926 - 1929
• a: 43.645 ± 0.003 Å
• b: 43.645 ± 0.003 Å
• c: 43.645 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 83139 ± 10 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1597
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2798
• Weighted residual factors for all reflections included in the refinement: 0.3309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No