Information card for entry 7214059

Structure parameters

• Formula: C20 H32 Cd N12 O13 S
• Calculated formula: C20 H31 Cd N12 O13 S
• Title of publication: Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties
• Authors of publication: Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1632
• a: 13.2282 ± 0.0016 Å
• b: 14.3543 ± 0.0016 Å
• c: 16.899 ± 0.002 Å
• α: 90°
• β: 100.845 ± 0.003°
• γ: 90°
• Cell volume: 3151.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No