Information card for entry 7219053

Structure parameters

• Formula: C102 H118 La2 N4 O30
• Calculated formula: C102 H118 La2 N4 O30
• SMILES: C1(c2cc(c(c(c2)OCC)OCC)OCC)[O]2[La]3456([n]7cccc8c7c7[n]4cccc7cc8)([O]=1)([O]=C(O[La]1472([O]=C(c2cc(c(c(c2)OCC)OCC)OCC)[O]34)([n]2cccc3c2c2[n]1cccc2cc3)([O]=C(O6)c1cc(OCC)c(OCC)c(c1)OCC)[O]=C(c1cc(c(c(c1)OCC)OCC)OCC)O7)c1cc(OCC)c(OCC)c(c1)OCC)[O]=C(c1cc(OCC)c(c(c1)OCC)OCC)O5
• 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: 13.0256 ± 0.0013 Å
• b: 14.4709 ± 0.0012 Å
• c: 15.0513 ± 0.0015 Å
• α: 84.356 ± 0.007°
• β: 73.226 ± 0.009°
• γ: 89.335 ± 0.007°
• Cell volume: 2702.7 ± 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: 0.1797
• Residual factor for significantly intense reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.318
• Weighted residual factors for all reflections included in the refinement: 0.3739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No