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Information card for entry 4335534
Preview
| Coordinates | 4335534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C208 H132 Cl16 Dy N20 O20 Y |
|---|---|
| Calculated formula | C208 H124 Cl16 Dy N20 O20 Y |
| SMILES | [n]12[Y]34567([n]8c9N=c%10n4c(=Nc2c2c(c1=Nc1n3c(N=c8c3c9cc(c(Oc4ccccc4)c3)Oc3ccccc3)c3cc(c(Oc4ccccc4)cc13)Oc1ccccc1)cc(c(Oc1ccccc1)c2)Oc1ccccc1)c1cc(c(Oc2ccccc2)cc%101)Oc1ccccc1)[n]12[Dy]3489%10([n]%11c%12=C(c%13ccc(C(=c%14ccc(C(=c%15ccc(=C(c%11cc%12)c%11ccc(cc%11)Cl)n4%15)c4ccc(cc4)Cl)[n]3%14)c3ccc(cc3)Cl)n8%13)c3ccc(cc3)Cl)[n]35c4c5cc(Oc8ccccc8)c(Oc8ccccc8)cc5c3N=c3[n]7%10c(N=c1c1cc(Oc5ccccc5)c(Oc5ccccc5)cc1c2=Nc1[n]69c(=N4)c2c1cc(Oc1ccccc1)c(Oc1ccccc1)c2)c1c3cc(Oc2ccccc2)c(Oc2ccccc2)c1.C(Cl)(Cl)Cl.O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O.O.O |
| Title of publication | Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature |
| Authors of publication | Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 8505 - 8510 |
| a | 24.469 ± 0.0004 Å |
| b | 24.469 ± 0.0004 Å |
| c | 17.8752 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10702.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 10 K |
| Ambient diffraction temperature | 100 ± 10 K |
| Number of distinct elements | 7 |
| Space group number | 104 |
| Hermann-Mauguin space group symbol | P 4 n c |
| Hall space group symbol | P 4 -2n |
| Residual factor for all reflections | 0.1319 |
| Residual factor for significantly intense reflections | 0.1129 |
| Weighted residual factors for significantly intense reflections | 0.3115 |
| Weighted residual factors for all reflections included in the refinement | 0.3297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.397 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4335534.cif |
| 101467 | 2014-02-14 | cif/ Adding structures of 4335534 via cif-deposit CGI script. |
4335534.cif |
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Users of the data should acknowledge the original authors of the
structural data.