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Information card for entry 7220612
Preview
| Coordinates | 7220612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.5 H57 N8 O18.5 Tb3 |
|---|---|
| Calculated formula | C44 H47 N8 O16 Tb3 |
| SMILES | [Tb]1234567([O]8[Tb]9%10%11([O]%12[Tb]%13%14%15%16([O]=C%12C)([O]=C(C)O%13)([O]=C(C)O9)[O]%10c9cccc%10ccc(C=[N]%14CCc%12c[nH]c[n]%15%12)[n]%16c9%10)([O]=C(C)O%11)([O]=C8C)([O]4c4c8c(ccc(C=[N]6CCc6c[nH]c[n]67)[n]18)ccc4)[O]5C(C)=[O]2)OC(=[O]3)C |
| Title of publication | Anion-dependent assembly of Dy complexes: structures and magnetic behaviors |
| Authors of publication | Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 5066 |
| a | 16.8042 ± 0.0007 Å |
| b | 17.6752 ± 0.0006 Å |
| c | 19.4071 ± 0.0011 Å |
| α | 69.39 ± 0.004° |
| β | 82.993 ± 0.004° |
| γ | 89.895 ± 0.003° |
| Cell volume | 5349.8 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2148 |
| Weighted residual factors for all reflections included in the refinement | 0.2518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220612.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220612.cif |
| 143434 | 2015-07-10 | cif/ Updating files of 7220611, 7220612, 7220613, 7220614, 7220615, 7220616, 7220617, 7220618 Original log message: Adding full bibliography for 7220611--7220618.cif. |
7220612.cif |
| 137642 | 2015-06-02 | cif/ Adding structures of 7220611, 7220612, 7220613, 7220614, 7220615, 7220616, 7220617, 7220618 via cif-deposit CGI script. |
7220612.cif |
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Users of the data should acknowledge the original authors of the
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