Information card for entry 7218634

Structure parameters

• Formula: C10 H16 N2 O14 P4 Zn
• Calculated formula: C10 H16 N2 O14 P4 Zn
• Title of publication: Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P‒C5H4N‒PO3H)2(H2O)2]n [MII= Co, Zn, Cd]
• Authors of publication: Videnova-Adrabinska, Veneta Georgieva; Wilk, Magdalena; Jarzembska, Katarzyna Natalia; Janczak, Jan; Duczmal, Marek; Hoffmann, Józef
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.1826 ± 0.0018 Å
• b: 8.6841 ± 0.0017 Å
• c: 11.656 ± 0.002 Å
• α: 90°
• β: 96.31 ± 0.03°
• γ: 90°
• Cell volume: 923.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No