Information card for entry 7060452

Structure parameters

• Formula: C6 H16 Mo12 N0.5 Na10.5 O63.5 Se2
• Calculated formula: C6 Mo12 N0.5 Na10.5 O63.5 Se2
• Title of publication: Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations
• Authors of publication: Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6745 - 6752
• a: 10.5584 ± 0.0009 Å
• b: 13.5966 ± 0.001 Å
• c: 20.6658 ± 0.0016 Å
• α: 97.457 ± 0.003°
• β: 92.579 ± 0.003°
• γ: 109.222 ± 0.003°
• Cell volume: 2765.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No