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Information card for entry 7203006
Preview
| Coordinates | 7203006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H36 Dy2 N6 O24 S6 |
|---|---|
| Calculated formula | C18 H36 Dy2 N6 O24 S6 |
| SMILES | C12=[O][Dy]345(O1)(OC(=[O]3)CSc1nc(nc(n1)SCC1=[O][Dy]367([O]=C(CSc8nc(nc(n8)SCC(=[O]7)O6)SCC(=[O]5)O4)O3)(O1)([OH2])([OH2])[OH2])SC2)([OH2])([OH2])[OH2].O.O.O.O.O.O |
| Title of publication | Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand |
| Authors of publication | Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 1051 |
| a | 8.575 ± 0.003 Å |
| b | 10.879 ± 0.004 Å |
| c | 10.988 ± 0.004 Å |
| α | 70.103 ± 0.004° |
| β | 86.18 ± 0.005° |
| γ | 79.849 ± 0.005° |
| Cell volume | 948.7 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203006.cif |
| 180361 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/30. |
7203006.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203006.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203006.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7203006.cif |
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