Information card for entry 7050837

Structure parameters

• Formula: C2 H5 Cu O4 P
• Calculated formula: C2 H5 Cu O4 P
• 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: 9.8699 ± 0.0001 Å
• b: 7.6192 ± 0.0001 Å
• c: 7.3171 ± 0.0001 Å
• α: 90 ± 0.001°
• β: 95.803 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 547.432 ± 0.012 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No