Information card for entry 4340004

Structure parameters

• Formula: C64 H144 Bi2 Br6 Mo8 N4 O26
• Calculated formula: C64 H144 Bi2 Br6 Mo8 N4 O26
• Title of publication: Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.
• Authors of publication: Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6886 - 6892
• a: 15.7271 ± 0.0003 Å
• b: 17.0654 ± 0.0003 Å
• c: 18.8408 ± 0.0003 Å
• α: 90°
• β: 99.593 ± 0.002°
• γ: 90°
• Cell volume: 4985.96 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No