Information card for entry 7227973

Structure parameters

• Formula: C16 H24 Na2 O15 P4 Zn2
• Calculated formula: C16 H22 Na2 O15 P4 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: 20.9501 ± 0.0018 Å
• b: 5.2845 ± 0.0004 Å
• c: 23.55 ± 0.002 Å
• α: 90°
• β: 93.373 ± 0.001°
• γ: 90°
• Cell volume: 2602.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No