Information card for entry 7038992

Structure parameters

• Formula: C2 H7 N5 O5 P Zn1.5
• Calculated formula: C2 H7 N5 O5 P Zn1.5
• Title of publication: New hybrid organic-zincophosphate frameworks: single-crystal-to-single-crystal structural transformation and remarkable thermal and chemical stabilities.
• Authors of publication: Chang, Tsung-Yuan; Yan, Zhao-Nan; Wang, Chun-Chi; Li, Hsing-Chun; Lin, Hsiu-Mei; Wang, Chih-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7231 - 7234
• a: 5.1355 ± 0.0005 Å
• b: 10.31 ± 0.0013 Å
• c: 14.9951 ± 0.0017 Å
• α: 90°
• β: 92.076 ± 0.003°
• γ: 90°
• Cell volume: 793.42 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No