Information card for entry 7060453

Structure parameters

• Formula: C50 H111 Mo8 N5 Na2 O29
• Calculated formula: C50 H111 Mo8 N5 Na2 O29
• 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: 15.8296 ± 0.0001 Å
• b: 18.5387 ± 0.0001 Å
• c: 25.6801 ± 0.0003 Å
• α: 89.128 ± 0.001°
• β: 88.474 ± 0.001°
• γ: 89.873 ± 0.001°
• Cell volume: 7532.53 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No