Information card for entry 7031919

Structure parameters

• Common name: {[Cd(btbb)0.5(btec)0.5(H2O)]2H2O}n
• Formula: C19 H17 Cd N3 O7 S
• Calculated formula: C19 H17 Cd N3 O7 S
• Title of publication: Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.
• Authors of publication: Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12790 - 12799
• a: 12.78 ± 0.003 Å
• b: 10.494 ± 0.002 Å
• c: 15.87 ± 0.003 Å
• α: 90°
• β: 109.31 ± 0.03°
• γ: 90°
• Cell volume: 2008.6 ± 0.8 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: 0.1126
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No