Information card for entry 7233528

Structure parameters

• Formula: C7 H8 Cd F O4 P
• Calculated formula: C7 H8 Cd F O4 P
• Title of publication: Cadmium benzylphosphonates ‒ the close relationship between structure and properties
• Authors of publication: Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 5958
• a: 30.6727 ± 0.0005 Å
• b: 5.93558 ± 0.00009 Å
• c: 5.0541 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 920.15 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 0.0198
• Goodness-of-fit parameter for all reflections: 3.42785
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7085 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No