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Information card for entry 7219053
Preview
| Coordinates | 7219053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180521 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90. |
7219053.cif |
| 128522 | 2014-12-11 | cif/ Adding structures of 7219051, 7219052, 7219053 via cif-deposit CGI script. |
7219053.cif |
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