Information card for entry 7210147

Structure parameters

• Formula: C10 H8 N2 O8 Pr
• Calculated formula: C10 H8 N2 O8 Pr
• 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: 7.501 ± 0.007 Å
• b: 9.435 ± 0.009 Å
• c: 9.706 ± 0.009 Å
• α: 117.238 ± 0.01°
• β: 93.257 ± 0.011°
• γ: 99.498 ± 0.011°
• Cell volume: 595.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No