Information card for entry 7050864

Structure parameters

• Formula: C4 H7 N O8 P2 Zn2
• Calculated formula: C4 H7 N O8 P2 Zn2
• Title of publication: Hydrothermal synthesis, characterization and crystal structures of two new zinc(ii) phosphonates: Zn2[(O3PCH2)2NHCH2CO2] and Zn2[HO3PCH2NH(CH2PO3)2]
• Authors of publication: Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1010
• a: 8.0677 ± 0.0012 Å
• b: 8.0677 ± 0.0012 Å
• c: 27.283 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1537.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No