Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4503004
Preview
| Coordinates | 4503004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H112 Cl2 N8 O32 Tb6 |
|---|---|
| Calculated formula | C84 H112 Cl2 N8 O32 Tb6 |
| SMILES | [N]12=Cc3c(O[Tb]456782[O]2c9c(OC)cccc9C=[N]7CC7C[N]9=Cc%10cccc%11c%10[O]%10[Tb]%12%13%149([OH]6[Tb]69%15%16%17([O]%184C(C1)C[N]1=Cc4cccc(c4O[Tb]42%181([O]56)([O](C)c1cccc(c1[O]%154)C=[N]9CC1[O]%16[Tb]24569([N](C1)=Cc1cccc(OC)c1[O]4[Tb]14%10([N](CC([O]%1261)C[N]2=Cc1cccc(OC)c1O5)=Cc1cccc(c1O4)OC)([O]%11C)([O]%139)[OH]C)[OH]%14%17)[OH]C)OC)[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 | 12.498 ± 0.003 Å |
| b | 14.737 ± 0.003 Å |
| c | 15.623 ± 0.004 Å |
| α | 79.18 ± 0.03° |
| β | 68.23 ± 0.02° |
| γ | 69.44 ± 0.03° |
| Cell volume | 2496.6 ± 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
4503004.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503004.cif |
| 37818 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4503003, 4503004, 4503005, 4503006 via cif-deposit CGI script. |
4503004.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.