Information card for entry 7021224

Structure parameters

• Formula: C84 H102 Cu12 Mo48 N12 O307 P4
• Calculated formula: C84 H102 Cu12 Mo48 N12 O307 P4
• Title of publication: An unprecedented polyoxometalate-based hybrid solid constructed from a neutral metal-organic macrocycle and Dawson polyoxotungstate anions.
• Authors of publication: Xu, Yanqing; Gao, Yuanzhe; Wei, Wei; Wang, Zhiqin; Li, Shan; Hu, Changwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5228 - 5231
• a: 33.1757 ± 0.0009 Å
• b: 33.1757 ± 0.0009 Å
• c: 24.6314 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23477.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No