Information card for entry 7716477

Structure parameters

• Formula: Cs Hg2 I5
• Calculated formula: Cs Hg2 I5
• Title of publication: <i>β</i>-CsHg₂I₅, a compound with rare [Hg₂I₅] dimers and large optical anisotropy.
• Authors of publication: Kong, Yingying; Wang, Hongshan; Zhao, Wang; Sun, Qi; Li, Junjie; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12090 - 12097
• a: 8.8094 ± 0.0014 Å
• b: 11.4931 ± 0.0017 Å
• c: 14.075 ± 0.002 Å
• α: 90°
• β: 107.073 ± 0.006°
• γ: 90°
• Cell volume: 1362.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No