Information card for entry 7207976

Structure parameters

• Formula: C70 H72 Cd3 N12 O20 S2
• Calculated formula: C70 H60 Cd3 N12 O20 S2
• Title of publication: Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates
• Authors of publication: Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3936
• a: 18.181 ± 0.005 Å
• b: 22.175 ± 0.005 Å
• c: 18.45 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7438 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No