Information card for entry 4337233

Structure parameters

• Formula: H60.75 K2 Na22 O201.75 Se6 W39
• Calculated formula: K2.015 Na22.03 O201.75 Se6 W39
• Title of publication: Cyclic Tungstoselenites Based on {Se2W12} Units.
• Authors of publication: Kalinina, Irina V.; Peresypkina, Eugenia V.; Izarova, Natalya V.; Nkala, Fiona M.; Kortz, Ulrich; Kompankov, Nikolay B.; Moroz, Nikolay K.; Sokolov, Maxim N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2076 - 2082
• a: 14.1423 ± 0.0002 Å
• b: 22.4551 ± 0.0003 Å
• c: 35.5982 ± 0.0004 Å
• α: 88.138 ± 0.001°
• β: 79.171 ± 0.001°
• γ: 75.052 ± 0.001°
• Cell volume: 10726.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No