Information card for entry 1518932

Structure parameters

• Formula: C45 H162 Mo60 N22.5 O601.26 Se21.57 W72
• Calculated formula: C45 Mo60 N22.5 O601.26 Se21.57 W72
• Title of publication: Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.
• Authors of publication: Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8839 - 8845
• a: 32.8171 ± 0.0009 Å
• b: 32.8171 ± 0.0009 Å
• c: 74.653 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 69627 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No