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Information card for entry 7052547
Preview
| Coordinates | 7052547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H46 Br2 Cl6 Er2 N4 O8 |
|---|---|
| Calculated formula | C36 H46 Br2 Cl6 Er2 N4 O8 |
| SMILES | c1(c2[OH][Er]3([O](C)c2cc(c1)Br)(Cl)([OH]CC)([OH]CC)(Cl)[Cl][Er]1([O](C)c2cc(cc(c2[OH]1)c1[nH]c2ccccc2n1)Br)([OH]CC)([OH]CC)(Cl)(Cl)[Cl]3)c1[nH]c2ccccc2n1 |
| Title of publication | Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding |
| Authors of publication | Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 310 |
| a | 10.201 ± 0.002 Å |
| b | 11.683 ± 0.003 Å |
| c | 11.701 ± 0.002 Å |
| α | 64.8 ± 0.03° |
| β | 64.79 ± 0.04° |
| γ | 86.63 ± 0.03° |
| Cell volume | 1128.7 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052547.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052547.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052547.cif |
| 14949 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052546, 7052547, 7052548, 7052549, 7052550, 7052551, 7052552, 7052553, 7052554, 7052555 via cif-deposit CGI script. |
7052547.cif |
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Users of the data should acknowledge the original authors of the
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