Information card for entry 7127640

Structure parameters

• Formula: C72 H56 Cl10 Cs22 Mo12 O94
• Calculated formula: C72 H24 Cl3 Cs8.75 Mo12 O87.5
• 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: 24.1759 ± 0.0006 Å
• b: 24.1759 ± 0.0006 Å
• c: 36.5135 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21341.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No