Information card for entry 7227970

Structure parameters

• Formula: C8 H8 O6 P2 Zn2
• Calculated formula: C8 H8 O6 P2 Zn2
• Title of publication: Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour
• Authors of publication: Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.7451 ± 0.0011 Å
• b: 5.1443 ± 0.0005 Å
• c: 10.5886 ± 0.001 Å
• α: 90°
• β: 93.357 ± 0.001°
• γ: 90°
• Cell volume: 584.29 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 298.15 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: 0.0538
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No