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Information card for entry 4001081
Preview
| Coordinates | 4001081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H36 Eu F9 N4 O9 S3 |
|---|---|
| Calculated formula | C45.774 H36 Eu F9 N4 O9 S3 |
| SMILES | FC(C1=CC(=[O][Eu]234(O1)(OC(=CC(=[O]3)C(F)(F)F)c1cccs1)([O]=C(C=C(O2)C(F)(F)F)c1cccs1)n1cccc2c1c1n4cccc1c1c2nc([nH]1)c1ccccc1)c1cccs1)(F)F.CO.CO.CO |
| Title of publication | Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens |
| Authors of publication | Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 4 |
| Pages of publication | 1278 |
| a | 10.8917 ± 0.0008 Å |
| b | 15.677 ± 0.0011 Å |
| c | 15.9877 ± 0.0008 Å |
| α | 117.819 ± 0.003° |
| β | 97.656 ± 0.004° |
| γ | 93.066 ± 0.005° |
| Cell volume | 2371.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0674 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001081.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001081.cif |
| 41834 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001081 via cif-deposit CGI script. |
4001081.cif |
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Users of the data should acknowledge the original authors of the
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