Information card for entry 1557340

Structure parameters

• Common name: [TTP]2[Mo6O19] (TPPM)
• Formula: C46 H34 Mo6 O21
• Calculated formula: C46 Mo6 O21
• SMILES: c1([o+]c(cc(c1)c1ccccc1)c1ccccc1)c1ccccc1.[O]12345[Mo]678(O[Mo]9%101(O[Mo]15(O7)(O[Mo]53(O[Mo]2(O8)(O9)(=O)O[Mo]4(O6)(O5)(O1)=O)(O%10)=O)=O)=O)=O.c1(cc(cc([o+]1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Crystal Structure and Photochemical Study of Bis(2,4,6-triphenylpyryllium)hexamolybdate (TPPM) and [n-Bu4N]2[Mo6O19].(TBAM)
• Authors of publication: Xu, Xue-Xiang; You, Xiao-Zeng; Wang, Xin
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 1 - 5
• a: 19.769 ± 0.002 Å
• b: 14.352 ± 0.003 Å
• c: 16.868 ± 0.002 Å
• α: 90°
• β: 99.99 ± 0.03°
• γ: 90°
• Cell volume: 4713.3 ± 1.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No