Information card for entry 7246796

Structure parameters

• Formula: C3 H13 N2 O8 P2 Zn
• Calculated formula: C3 H13 N2 O8 P2 Zn
• Title of publication: The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks
• Authors of publication: Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 12703 - 12711
• a: 5.2677 ± 0.0005 Å
• b: 13.3025 ± 0.0013 Å
• c: 14.7833 ± 0.0014 Å
• α: 90°
• β: 96.049 ± 0.001°
• γ: 90°
• Cell volume: 1030.15 ± 0.17 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 6
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 1.127
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No