Information card for entry 4339954

Structure parameters

• Chemical name: Titanium(II) octauranium(IV) heptadecaselenide
• Formula: Se17 Ti U8
• Calculated formula: Se17 Ti U8
• Title of publication: Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.
• Authors of publication: Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6920 - 6927
• a: 13.889 ± 0.0004 Å
• b: 8.8141 ± 0.0002 Å
• c: 10.8876 ± 0.0003 Å
• α: 90°
• β: 101.369 ± 0.001°
• γ: 90°
• Cell volume: 1306.7 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No