Information card for entry 7220208

Structure parameters

• Formula: C18 H24.35 Cd Cl1.64 N8 O11.36 S0.35
• Calculated formula: C18 H24.359 Cd Cl1.641 N8 O11.359 S0.359
• Title of publication: A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing
• Authors of publication: Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 44
• Pages of publication: 35238
• a: 9.6873 ± 0.0004 Å
• b: 10.9691 ± 0.0005 Å
• c: 14.6472 ± 0.0006 Å
• α: 71.049 ± 0.001°
• β: 86.413 ± 0.001°
• γ: 69.045 ± 0.001°
• Cell volume: 1372.17 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No