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Information card for entry 7019172
Preview
| Coordinates | 7019172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H59 F28 La N Na O8 |
|---|---|
| Calculated formula | C58 H59 F28 La N Na O8 |
| SMILES | C(C(C(F)(F)F)(F)F)(F)(C1O[La]23456([O]=C7C(=C(C(C(C(F)(F)F)(F)F)(F)F)[O]4[Na]4([N]#CC)([F][C@](C(=C8C([C@@]9(C(C)([C@H]8CC9)C)C)=[O]2)[O]54)(C(C(F)(F)F)(F)F)F)[O]6C(=C2C([C@@]4(C([C@H]2CC4)(C)C)C)=[O]3)C(C(C(F)(F)F)(F)F)(F)F)[C@@H]2CC[C@]7(C2(C)C)C)[O]=C2C=1[C@@H]1CC[C@@]2(C)C1(C)C)F |
| Title of publication | Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution. |
| Authors of publication | Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 6696 - 6706 |
| a | 13.2089 ± 0.0019 Å |
| b | 21.194 ± 0.003 Å |
| c | 24.281 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6797.5 ± 1.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179895 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91. |
7019172.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019172.cif |
| 60457 | 2012-06-14 | cif/ Adding structures of 7019172, 7019173, 7019174 via cif-deposit CGI script. |
7019172.cif |
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Users of the data should acknowledge the original authors of the
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