Information card for entry 7219051

Structure parameters

• Formula: C3.29 H3.81 N0.13 O0.97 Pr0.06
• Calculated formula: C3.29032 H3.80645 N0.129032 O0.967742 Pr0.0645161
• Title of publication: Lanthanide Complexes with 3, 4, 5-Triethoxybenzoic acid and 1,10-phenanthroline: Synthesis, Crystal structures, Thermal decomposition mechanism and Phase transformation kinetics
• Authors of publication: Zhang, Jian-Jun; Qi, Xiao-Xia; Ren, Ning; Xu, Su-Ling; Zong, Guang-Cai; Gao, Jie; geng, lina; Wang, Shu-Ping; Shi, Shikao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.9555 ± 0.0012 Å
• b: 14.4344 ± 0.0013 Å
• c: 15.077 ± 0.002 Å
• α: 84.255 ± 0.009°
• β: 73.642 ± 0.01°
• γ: 89.269 ± 0.007°
• Cell volume: 2691.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2628
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.3553
• Weighted residual factors for all reflections included in the refinement: 0.4404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No