Information card for entry 7038993

Structure parameters

• Formula: C2 H5 N5 O4 P Zn1.5
• Calculated formula: C2 H5 N5 O4 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: 18.9644 ± 0.0015 Å
• b: 5.2062 ± 0.0004 Å
• c: 16.2282 ± 0.0013 Å
• α: 90°
• β: 113.958 ± 0.006°
• γ: 90°
• Cell volume: 1464.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No