Information card for entry 2016947

Structure parameters

• Chemical name: Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate
• Formula: C14 H48 Mn2 N2 O44 V10
• Calculated formula: C14 H48 Mn2 N2 O44 V10
• SMILES: c1(CCO)[nH+]cccc1.[O](=[V]1234O[V]567(=O)O[V]89(=O)(O[V]%10%11%12%13[O]2[V]2%14%15(=O)[O]3[V]3%16%17(O5)[O]468%10[V]4(=O)(O7)(O9)[O]%16[V]56(=[O][Mn]([OH2])([OH2])([OH2])([OH2])[OH2])(O[V]7(=O)(O[V](=O)(O3)(O5)(O%14)[O]%13%15%1767)(O%11)O2)[O]%124)O1)[Mn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1(cccc[nH+]1)CCO.O.O
• Title of publication: Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate
• Authors of publication: Klištincová, Lenka; Rakovský, Erik; Schwendt, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m97 - m99
• a: 9.58016 ± 0.00009 Å
• b: 11.33329 ± 0.00013 Å
• c: 12.0754 ± 0.00017 Å
• α: 78.3429 ± 0.0011°
• β: 74.6559 ± 0.0011°
• γ: 66.0748 ± 0.001°
• Cell volume: 1149.02 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes