Information card for entry 7046985

Structure parameters

• Formula: C6 H24 Mo12 N3 O40.343 P
• Calculated formula: C6 H24 Mo12 N3 O40.345 P
• Title of publication: Structures, electronic properties, reactivity and dynamic studies of three new polyoxometalate compounds.
• Authors of publication: Harchani, Ali; Kučeráková, Monika; Dušek, Michal; Haddad, Amor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10965 - 10975
• a: 16.3798 ± 0.0003 Å
• b: 16.3798 ± 0.0003 Å
• c: 50.2781 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11682.3 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No