Information card for entry 7210142

Structure parameters

• Formula: C18 H21 N4 O14 Tb
• Calculated formula: C18 H21 N4 O14 Tb
• Title of publication: 1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability
• Authors of publication: Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4489
• a: 11.185 ± 0.002 Å
• b: 8.957 ± 0.0018 Å
• c: 23.074 ± 0.005 Å
• α: 90°
• β: 94.7 ± 0.03°
• γ: 90°
• Cell volume: 2303.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1314
• 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