Information card for entry 7127639

Structure parameters

• Formula: C210 H352 Mo12 N16 O82
• Calculated formula: C76 H36 Mo12 N2 O78
• Title of publication: An octahedral polyoxomolybdate-organic molecular cage.
• Authors of publication: Wang, Xin-Ying; Chen, Wei-Chao; Shao, Kui-Zhan; Wang, Xin-Long; Zhao, Liang; Su, Zhong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 1042 - 1045
• a: 24.4515 ± 0.001 Å
• b: 24.4515 ± 0.001 Å
• c: 37.034 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22142 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 132
• Hermann-Mauguin space group symbol: P 42/m c m
• Hall space group symbol: -P 4c 2c
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No