Information card for entry 7020417

Structure parameters

• Formula: C20.6 H147 B2 Mo6 N10.3 O121.45 S6 W24
• Calculated formula: C20.6 H82.4 B2 Mo6 N10.3 O121.45 S6 W24
• Title of publication: Trapping {BW(12)}(2) tungstoborate: synthesis and crystal structure of hybrid [{(H(2)BW(12)O(42))(2)O}{Mo(6)O(6)S(6)(OH)(4)(H(2)O)(2)}](14-) anion.
• Authors of publication: Korenev, V. S.; Abramov, P. A.; Vicent, C.; Mainichev, D. A.; Floquet, S.; Cadot, E.; Sokolov, M. N.; Fedin, V. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14484 - 14486
• a: 16.8821 ± 0.0006 Å
• b: 21.1874 ± 0.001 Å
• c: 21.4856 ± 0.001 Å
• α: 84.638 ± 0.001°
• β: 84.606 ± 0.001°
• γ: 85.998 ± 0.001°
• Cell volume: 7603.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No