Information card for entry 7227971

Structure parameters

• Formula: C8 H12 O8 P2 Zn2
• Calculated formula: C8 H12 O8 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: 22.259 ± 0.002 Å
• b: 5.8452 ± 0.0006 Å
• c: 4.9451 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 643.4 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No