Information card for entry 4502305

Structure parameters

• Formula: C2 H9 Cu O9 P
• Calculated formula: C2 H9 Cu O9 P
• Title of publication: Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations
• Authors of publication: Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 357
• a: 8.623 ± 0.003 Å
• b: 9.893 ± 0.003 Å
• c: 18.924 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No