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Information card for entry 4314733
Preview
| Coordinates | 4314733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H11 F3 N2 O3 S |
|---|---|
| Calculated formula | C11 H11 F3 N2 O3 S |
| SMILES | S(=O)(=O)(Oc1cc2nc(n(c2cc1)CC)C)C(F)(F)F |
| Title of publication | Planned Failures from the Principle of Maximum Site Occupancy in Lanthanide Helicates |
| Authors of publication | Jean-François Lemonnier; Laure Guénée; Gérald Bernardinelli; Jean-François Vigier; Bernard Bocquet; Claude Piguet |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1252 - 1265 |
| a | 6.2135 ± 0.0008 Å |
| b | 9.0972 ± 0.0011 Å |
| c | 12.4811 ± 0.0017 Å |
| α | 102.04 ± 0.015° |
| β | 101.67 ± 0.015° |
| γ | 97.195 ± 0.014° |
| Cell volume | 665.31 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4314733.cif |
| 179227 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47. |
4314733.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314733.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314733.cif |
| 7876 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314733 via cif-deposit CGI script. |
4314733.cif |
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Users of the data should acknowledge the original authors of the
structural data.