Information card for entry 7043184

Structure parameters

• Formula: C3 H36 Ba2 Co2 Mo10 N2 O48
• Calculated formula: C3 H12 Ba2 Co2 Mo10 N2 O48
• Title of publication: Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties
• Authors of publication: Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.3922 ± 0.0003 Å
• b: 12.8999 ± 0.0003 Å
• c: 15.5582 ± 0.0005 Å
• α: 95.407 ± 0.002°
• β: 93.756 ± 0.001°
• γ: 118.057 ± 0.001°
• Cell volume: 2167.91 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No