Information card for entry 7125514

Structure parameters

• Formula: C6 H4.5 N2 O18.25 P4 Zn5
• Calculated formula: C4 N2 O18.246 P4 Zn5
• Title of publication: A new route for the synthesis of open-framework metal phosphates using organophosphates
• Authors of publication: Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2716
• a: 5.1601 ± 0.0006 Å
• b: 25.075 ± 0.003 Å
• c: 14.986 ± 0.0019 Å
• α: 90°
• β: 92.61 ± 0.002°
• γ: 90°
• Cell volume: 1937 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No