Information card for entry 7053201

Structure parameters

• Formula: C32 H60 Mo12 N8 O40 P
• Calculated formula: C32 H60 Mo12 N8 O40 P
• Title of publication: New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent
• Authors of publication: Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 9
• Pages of publication: 2894
• a: 13.159 ± 0.003 Å
• b: 16.952 ± 0.003 Å
• c: 14.383 ± 0.003 Å
• α: 90°
• β: 91.45 ± 0.03°
• γ: 90°
• Cell volume: 3207.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No