Information card for entry 7060451

Structure parameters

• Formula: C6 H42.2 Mo12 N Na10 O77.6 Se2
• Calculated formula: C6 Mo12 N Na10 O77.6 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: 16.6045 ± 0.0002 Å
• b: 20.8678 ± 0.0003 Å
• c: 19.2934 ± 0.0003 Å
• α: 90°
• β: 98.971 ± 0.001°
• γ: 90°
• Cell volume: 6603.37 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No