Information card for entry 7044512

Structure parameters

• Chemical name: Cadmium Sulfite-Oxalate Piperazine
• Formula: C6 H16 Cd2 N2 O12 S2
• Calculated formula: C6 H16.0066 Cd2 N2 O12 S2
• 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: 6.2237 ± 0.0002 Å
• b: 8.0397 ± 0.0003 Å
• c: 16.7299 ± 0.0006 Å
• α: 86.119 ± 0.002°
• β: 87.147 ± 0.003°
• γ: 71.784 ± 0.002°
• Cell volume: 792.97 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No