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Information card for entry 4342177
Preview
| Coordinates | 4342177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39 N12 O15 Tm |
|---|---|
| Calculated formula | C27 H33 N12 O15 Tm |
| SMILES | [Tm]12345678([OH2])[O]=C(N)C[N]98Cc8[n]7c(C[N]6(Cc6[n]5c(C[N]4(Cc4[n]3c(ccc4)C9)CC(=[O]1)N)ccc6)CC(=[O]2)N)ccc8.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
| Title of publication | Lanthanide(III) Complexation with an Amide Derived Pyridinophane. |
| Authors of publication | Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1671 - 1683 |
| a | 10.657 ± 0.001 Å |
| b | 11.1946 ± 0.001 Å |
| c | 15.6855 ± 0.0015 Å |
| α | 90° |
| β | 105.717 ± 0.001° |
| γ | 90° |
| Cell volume | 1801.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.409 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179524 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/21. |
4342177.cif |
| 132788 | 2015-03-04 | cif/ Updating files of 4342165, 4342166, 4342167, 4342168, 4342169, 4342170, 4342171, 4342172, 4342173, 4342174, 4342175, 4342176, 4342177, 4342178, 4342179 Original log message: Adding full bibliography for 4342165--4342179.cif. |
4342177.cif |
| 130397 | 2015-02-04 | cif/ Adding structures of 4342165, 4342166, 4342167, 4342168, 4342169, 4342170, 4342171, 4342172, 4342173, 4342174, 4342175, 4342176, 4342177, 4342178, 4342179 via cif-deposit CGI script. |
4342177.cif |
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Users of the data should acknowledge the original authors of the
structural data.