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Information card for entry 7219849
Preview
| Coordinates | 7219849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H60 N8 O45 U6 |
|---|---|
| Calculated formula | C99 H60 N8 O45 U6 |
| Title of publication | Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration |
| Authors of publication | Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3031 |
| a | 14.1475 ± 0.0007 Å |
| b | 14.2138 ± 0.0007 Å |
| c | 14.2205 ± 0.0008 Å |
| α | 71.475 ± 0.005° |
| β | 63.479 ± 0.005° |
| γ | 86.375 ± 0.004° |
| Cell volume | 2415.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180529 (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 7/21/98. |
7219849.cif |
| 134915 | 2015-04-06 | cif/ Updating files of 7219848, 7219849 Original log message: Adding full bibliography for 7219848--7219849.cif. |
7219849.cif |
| 133851 | 2015-03-12 | cif/ Adding structures of 7219848, 7219849 via cif-deposit CGI script. |
7219849.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.