Information card for entry 7204685

Structure parameters

• Formula: C5 H6 N O5 Zn
• Calculated formula: C5 H4 N O5 Zn
• Title of publication: High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine
• Authors of publication: Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 48
• Pages of publication: 280 - 284
• a: 16.546 ± 0.002 Å
• b: 6.929 ± 0.0005 Å
• c: 7.4783 ± 0.0008 Å
• α: 90°
• β: 113.472 ± 0.005°
• γ: 90°
• Cell volume: 786.42 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No