Information card for entry 7004334

Structure parameters

• Formula: C14.07 H34.38 Mn N9.38 Na6 O46.81 Si W11
• Calculated formula: C14.07 H18.76 Mn N9.38 Na6 O46.81 Si W11
• Title of publication: 3D-transition metal mono-substituted Keggin polyoxotungstate with an antenna molecule: synthesis, structure and characterization
• Authors of publication: Liu, Hongsheng; Gómez-García, Carlos J.; Peng, Jun; Sha, Jingquan; Li, Yangguang; Yan, Yechao
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6211 - 6218
• a: 12.234 ± 0.002 Å
• b: 12.758 ± 0.002 Å
• c: 21.923 ± 0.004 Å
• α: 82.336 ± 0.003°
• β: 77.2 ± 0.003°
• γ: 70.72 ± 0.003°
• Cell volume: 3142.9 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No