Information card for entry 7050838

Structure parameters

• Formula: C2 H5 O4 P Zn
• Calculated formula: C2 H3 O4 P Zn
• Title of publication: Preparation using metal oxide precursors and crystal structures of the copper and zinc vinylphosphonate materials M(O3PC2H3)·H2O (M = Cu, Zn)Electronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/nj/b2/b200438k/
• Authors of publication: Menaa, Bouzid; Kariuki, Benson M.; Shannon, Ian J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 906
• a: 5.6805 ± 0.0001 Å
• b: 9.8101 ± 0.0001 Å
• c: 4.7988 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 267.419 ± 0.008 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No