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Information card for entry 7007709
Preview
| Coordinates | 7007709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 Br Cl2 N7 O8 Pb |
|---|---|
| Calculated formula | C26 H35 Br Cl2 N7 O8 Pb |
| SMILES | [Pb]1234(Br)[n]5c6cccc5c5[n]4c(c4cccc([n]24)C[NH]1CCCNCCCNCCC[NH]3C6)ccc5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes. |
| Authors of publication | Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 48 |
| Pages of publication | 5743 - 5752 |
| a | 13.005 ± 0.003 Å |
| b | 14.517 ± 0.004 Å |
| c | 17.229 ± 0.005 Å |
| α | 90° |
| β | 90.84 ± 0.02° |
| γ | 90° |
| Cell volume | 3252.4 ± 1.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.2477 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.633 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (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 7/00/77. |
7007709.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007709.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007709.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007709.cif |
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Users of the data should acknowledge the original authors of the
structural data.