Information card for entry 7242583

Structure parameters

• Chemical name: CaNi2(SeO3)3(1.5H2O)
• Formula: Ca H3 Ni2 O10.5 Se3
• Calculated formula: Ca H3 Ni2 O10.5 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: 7.7605 ± 0.0002 Å
• b: 7.3336 ± 0.0001 Å
• c: 8.9393 ± 0.0002 Å
• α: 90°
• β: 115.115 ± 0.003°
• γ: 90°
• Cell volume: 460.66 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0267
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No