Information card for entry 2240372

Structure parameters

• Chemical name: Bis{[tris(hydroxymethyl)methyl]ammonium} decaaquadi-μ~4~oxido-tetra-μ~3~-oxido-hexadeca-μ~2~-oxido-hexaoxidodimanganesedecavanadate dihydrate
• Formula: C8 H48 Mn2 N2 O46 V10
• Calculated formula: C8 H48 Mn2 N2 O46 V10
• Title of publication: Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O
• Authors of publication: Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 146 - 150
• a: 19.3147 ± 0.0008 Å
• b: 9.7733 ± 0.0004 Å
• c: 22.7952 ± 0.001 Å
• α: 90°
• β: 96.392 ± 0.001°
• γ: 90°
• Cell volume: 4276.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No