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Information card for entry 7113586
Preview
| Coordinates | 7113586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 Br2 N3 |
|---|---|
| Calculated formula | C24 H23 Br2 N3 |
| SMILES | Brc1ccc(C2N(c3ccc(Br)cc3)[C]N(N=2)C23CC4CC(C2)CC(C3)C4)cc1 |
| Title of publication | An unprecedented mode of ligation for a bridged amido-cyclopentadienide (constrained geometry) ligand; π-olefinic interactions with gallium and indium |
| Authors of publication | Pietryga, Jeffrey M.; Jones, Jamie N.; Mullins, Lucille A.; Wiacek, Robert J.; Cowley, Alan H. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 16 |
| Pages of publication | 2072 - 2073 |
| a | 7.489 ± 0.005 Å |
| b | 12.008 ± 0.005 Å |
| c | 12.485 ± 0.005 Å |
| α | 80.89 ± 0.005° |
| β | 75.043 ± 0.005° |
| γ | 79.011 ± 0.005° |
| Cell volume | 1057.7 ± 0.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7113586.cif |
| 210595 | 2018-09-09 | cif/7/ Updating bibliography in entries 7103834-7103835, 7113585-7113588. Marking entries 7113587-7113588 as duplicates of entries 7103834-7103835. |
7113586.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113586.cif |
| 115145 | 2014-06-02 | cif/ Adding structures of 7113585, 7113586 via cif-deposit CGI script. |
7113586.cif |
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Users of the data should acknowledge the original authors of the
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