Information card for entry 7041170

Structure parameters

• Formula: C70 H134 B2 Mn Mo6 N5 O28
• Calculated formula: C22 B2 Mn Mo6 N2 O28
• Title of publication: Boronic acid and boronic ester containing polyoxometalates.
• Authors of publication: Karoui, Hedi; Ritchie, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18838 - 18841
• a: 24.0713 ± 0.0006 Å
• b: 14.3578 ± 0.0005 Å
• c: 28.5472 ± 0.0015 Å
• α: 90°
• β: 94.407 ± 0.003°
• γ: 90°
• Cell volume: 9837.1 ± 0.7 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No