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Information card for entry 4503003
Preview
| Coordinates | 4503003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H112 Cl2 N8 Nd6 O32 |
|---|---|
| Calculated formula | C84 H112 Cl2 N8 Nd6 O32 |
| SMILES | [N]12=Cc3c(O[Nd]456782[O]2c9c(OC)cccc9C=[N]7C[C@H]7C[N]9=Cc%10cccc%11c%10[O]%10[Nd]%12%13%149([O]6[Nd]69%15%16%17([O]%184[C@H](C1)C[N]1[Nd]42%18([O]c2c(C=1)cccc2OC)([O]56)([O](C)c1cccc(c1[O]%154)C=[N]9C[C@@H]1[O]%16[Nd]24569([N](C1)=Cc1cccc(OC)c1[O]4[Nd]14%10(Oc%10c(C=[N]1C[C@@H]([O]%1264)C[N]2=Cc1cccc(OC)c1O5)cccc%10OC)([O]%11C)([O]%139)[OH]C)[O]%14%17)[OH]C)[OH]C)([O]87)[OH]C)c(ccc3)OC.CO.CO.[Cl-].CO.CO.[Cl-] |
| Title of publication | Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes |
| Authors of publication | Liao, Sen; Yang, Xiaoping; Jones, Richard A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 970 |
| a | 12.657 ± 0.003 Å |
| b | 14.761 ± 0.002 Å |
| c | 15.796 ± 0.003 Å |
| α | 78.89 ± 0.03° |
| β | 67.73 ± 0.04° |
| γ | 69.17 ± 0.03° |
| Cell volume | 2546.8 ± 1.2 Å3 |
| Cell temperature | 223 ± 1 K |
| Ambient diffraction temperature | 223 ± 1 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 all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.710747 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179561 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30. |
4503003.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503003.cif |
| 37818 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4503003, 4503004, 4503005, 4503006 via cif-deposit CGI script. |
4503003.cif |
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Users of the data should acknowledge the original authors of the
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