Information card for entry 7713521

Structure parameters

• Formula: Ca2 H4 O12 P4 Zn2
• Calculated formula: Ca2 H4 O12 P4 Zn2
• Title of publication: CaZn(HPO3)2 and Ba2Zn(HPO3)3 : Novel Alkaline-Earth Zincophosphites with Diversified Anionic Frameworks
• Authors of publication: Zhang, Yu; Liu, Xia; Liu, Qian-Yan; Wang, Jianhua; HU, Ting; Lin, Yan-Mei; Zhang, Jian-Han
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 5.4232 ± 0.0002 Å
• b: 7.6786 ± 0.0003 Å
• c: 14.1575 ± 0.0005 Å
• α: 90°
• β: 91.882 ± 0.003°
• γ: 90°
• Cell volume: 589.24 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No