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Information card for entry 7002737
Preview
| Coordinates | 7002737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H18 Dy2 N36 O12 |
|---|---|
| Calculated formula | C30 H18 Dy2 N36 O12 |
| SMILES | [OH2][Dy]123([OH2])([OH2])(n4c(c5[n]1cccn5)nnn4)(n1c(c4[n]2cccn4)nnn1)n1c2c4[n]3ccc[n]4[Dy]34([OH2])([OH2])([OH2])(n5c(c6[n]3cccn6)nnn5)(n3c(c5[n]4cccn5)nnn3)[n]2nn1.c1(c2ncccn2)[n]nnn1.O.O.O.O.O.O |
| Title of publication | Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes |
| Authors of publication | Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 43 |
| Pages of publication | 9578 - 9586 |
| a | 22.844 ± 0.003 Å |
| b | 11.4283 ± 0.0014 Å |
| c | 19.349 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5051.4 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179731 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/27. |
7002737.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002737.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002737.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002737.cif |
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