Information card for entry 1549998

Structure parameters

• Formula: C16 H104 Mn Mo12 N16 O74 P8
• Calculated formula: C16 H104 Mn Mo12 N16 O74 P8
• Title of publication: Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water
• Authors of publication: Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian
• Journal of publication: Chemical Science
• Year of publication: 2018
• a: 15.8641 ± 0.0014 Å
• b: 15.937 ± 0.0016 Å
• c: 17.1695 ± 0.0017 Å
• α: 90°
• β: 92.645 ± 0.002°
• γ: 90°
• Cell volume: 4336.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No