Information card for entry 7011501

Structure parameters

• Formula: C12 H28 N2 O10 P2 Zn2
• Calculated formula: C12 H28 N2 O10 P2 Zn2
• Title of publication: Synthesis and structure of a layered zinc phosphate‒acetate, [C5H10NH2]2[Zn(ZnO2CCH3)(PO4)(HPO4)]
• Authors of publication: Natarajan, Srinivasan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 2088
• a: 9.1374 ± 0.001 Å
• b: 9.1963 ± 0.0011 Å
• c: 12.9915 ± 0.0015 Å
• α: 91.421 ± 0.002°
• β: 104.988 ± 0.002°
• γ: 110.162 ± 0.002°
• Cell volume: 982.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.0902
• Goodness-of-fit parameter for all reflections: 0.933
• Goodness-of-fit parameter for significantly intense reflections: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No