Information card for entry 7208383

Structure parameters

• Formula: C2 H10 Ca O9 P2
• Calculated formula: C2 H6 Ca O9 P2
• Title of publication: Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems
• Authors of publication: Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5385
• a: 6.943 ± 0.005 Å
• b: 7.581 ± 0.006 Å
• c: 9.662 ± 0.006 Å
• α: 92.734 ± 0.005°
• β: 106.176 ± 0.01°
• γ: 112.524 ± 0.014°
• Cell volume: 444.3 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.2858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No