Information card for entry 4338542

Structure parameters

• Formula: C4 H12 Cd Cu4 N4 O12 S4
• Calculated formula: C4 Cd Cu4 N2 O12 S4
• Title of publication: New Types of 3D Organically Templated Zn^2+^/Cd^2+^‒Cu^+^ Mixed Metal Sulfites
• Authors of publication: Li, Pei-Xin; Hu, Chun-Li; Lin, Qi-Pu; Zhao, Na; Mao, Jiang-Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5454 - 5461
• a: 10.318 ± 0.005 Å
• b: 10.981 ± 0.005 Å
• c: 7.066 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 800.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No