Information card for entry 7242584

Structure parameters

• Chemical name: CaNi2(SeO3)3(2H2O)
• Formula: Ca H4 Ni2 O11 Se3
• Calculated formula: Ca H3.999 Ni2 O10.999 Se3
• Title of publication: Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration
• Authors of publication: Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 3126 - 3132
• a: 7.8568 ± 0.0004 Å
• b: 7.3734 ± 0.0003 Å
• c: 8.9697 ± 0.0006 Å
• α: 90°
• β: 114.275 ± 0.007°
• γ: 90°
• Cell volume: 473.68 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No