Information card for entry 7708871

Structure parameters

• Formula: Ca2 H2 Ni O12 Se4
• Calculated formula: Ca2 H2 Ni O12 Se4
• Title of publication: Synthesis, structure and magnetic properties of two new spin-chain compounds Ca2Ni(HSeO3)2(SeO3)2 and Na2Cu(SeO3)2·2H2O
• Authors of publication: Huang, Xing; Zhao, Zhiying; Wang, Yanqi; Zhang, Mengsi; He, Zhangzhen
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 5.2858 ± 0.0002 Å
• b: 7.0398 ± 0.0002 Å
• c: 8.418 ± 0.0003 Å
• α: 110.413 ± 0.003°
• β: 105.027 ± 0.003°
• γ: 91.786 ± 0.002°
• Cell volume: 280.962 ± 0.018 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No