Information card for entry 7053202

Structure parameters

• Formula: C24 H45 Mo12 N6 O40 P
• Calculated formula: C24 H45 Mo12 N6 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: 12.8716 ± 0.0006 Å
• b: 21.1033 ± 0.0009 Å
• c: 21.6102 ± 0.001 Å
• α: 96.282 ± 0.001°
• β: 105.243 ± 0.001°
• γ: 100.756 ± 0.001°
• Cell volume: 5485.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No