Information card for entry 7044511

Structure parameters

• Chemical name: [Zn2(SO3)2(C2O4)0.5(C6N2H13)].(H2O)2
• Formula: C7 H17 N2 O10 S2 Zn2
• Calculated formula: C7 H13 N2 O10 S2 Zn2
• Title of publication: Organically-Templated Inorganic-Organic Hybrid Metal (Zn and Cd) Sulphite-Oxalates with Layered and Three-Dimensional Structures
• Authors of publication: Behera, Jogendra Nath; Tiwari, Ranjay K.; Kumar, Jitendra
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.6184 ± 0.0007 Å
• b: 23.503 ± 0.002 Å
• c: 8.0444 ± 0.0007 Å
• α: 90°
• β: 114.128 ± 0.004°
• γ: 90°
• Cell volume: 1487.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No