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Information card for entry 4314732
Preview
| Coordinates | 4314732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C55 H47 Cl9 N10 |
|---|---|
| Calculated formula | C55 H47 Cl9 N10 |
| SMILES | n1c2ccccc2n(c1c1nc(ccc1)c1nc2cc(ccc2n1CC)c1ccc(cc1)c1cc2nc(n(c2cc1)CC)c1nc(ccc1)c1nc2ccccc2n1CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| 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 | 27.7383 ± 0.0014 Å |
| b | 8.4757 ± 0.0005 Å |
| c | 25.3816 ± 0.0011 Å |
| α | 90° |
| β | 115.699 ± 0.005° |
| γ | 90° |
| Cell volume | 5377 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1572 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.817 |
| Diffraction radiation wavelength | 0.71069 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. |
4314732.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4314732.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314732.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314732.cif |
| 7875 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314732 via cif-deposit CGI script. |
4314732.cif |
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