Information card for entry 7037136

Structure parameters

• Chemical name: Cs2Mo6I8(C2F5COO)6
• Formula: C26 H20 Cs2 F30 I8 Mo6 O14
• Calculated formula: C26 H20 Cs2 F30 I8 Mo6 O14
• SMILES: C(C(C(=O)O[Mo]1234567[I]8[Mo]9%10%11%12%135([I]5[Mo]%14%15%16%17%18%11([I]%11[Mo]%19%20%214%16([I]1[Mo]6%125%17%11%20([I]39)OC(=O)C(C(F)(F)F)(F)F)([I]2[Mo]78%13%18%21([I]%14%19)([I]%10%15)OC(=O)C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F)(F)F)(F)(F)F.CCOCC.CCOCC.[Cs+].[Cs+]
• Title of publication: Versatility of the ionic assembling method to design highly luminescent PMMA nanocomposites containing [M6Q(i)8L(a)6](n-) octahedral nano-building blocks.
• Authors of publication: Amela-Cortes, Maria; Molard, Yann; Paofai, Serge; Desert, Anthony; Duvail, Jean-Luc; Naumov, Nikolay G.; Cordier, Stéphane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 237 - 245
• a: 10.3047 ± 0.0005 Å
• b: 12.9 ± 0.0006 Å
• c: 13.2277 ± 0.0006 Å
• α: 113.66 ± 0.002°
• β: 92.194 ± 0.002°
• γ: 90.476 ± 0.003°
• Cell volume: 1608.84 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No