Information card for entry 4500532

Structure parameters

• Formula: C8 H10 Ca4 Na2 O27 P4
• Calculated formula: C8 H10 Ca4 Na2 O27 P4
• Title of publication: Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening
• Authors of publication: Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1713
• a: 6.64 ± 0.0007 Å
• b: 8.7164 ± 0.0009 Å
• c: 11.5047 ± 0.0012 Å
• α: 76.174 ± 0.001°
• β: 89.574 ± 0.001°
• γ: 75.524 ± 0.001°
• Cell volume: 625.07 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No