Information card for entry 7113861

Structure parameters

• Formula: C4 H16 N2 O9 P2 Zn
• Calculated formula: C4 H16 N2 O9 P2 Zn
• Title of publication: Transformation of a 4-membered ring zinc phosphate SBU to a sodalite-related 3-dimensional structure through a linear chain structure
• Authors of publication: Dan, Meenakshi; Udayakumar, D.; Rao, C. N. R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2212 - 2213
• a: 8.9088 ± 0.0015 Å
• b: 14.03 ± 0.002 Å
• c: 9.3055 ± 0.0015 Å
• α: 90°
• β: 95.481 ± 0.003°
• γ: 90°
• Cell volume: 1157.8 ± 0.3 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: 0.0605
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.0769
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103876
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No