Information card for entry 7243920

Structure parameters

• Formula: C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30
• Calculated formula: C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30
• Title of publication: Structural features of selenate based {Mo132} keplerate capsules
• Authors of publication: Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 321 - 329
• a: 50.337 ± 0.007 Å
• b: 50.337 ± 0.007 Å
• c: 61.099 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 134072 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2929
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.79272 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No