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Information card for entry 4338056
Preview
| Coordinates | 4338056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H6 Br9 N7 |
|---|---|
| Calculated formula | C12 H6 Br9 N7 |
| SMILES | N(Cn1c(c(c(n1)Br)Br)Br)(Cn1c(c(c(n1)Br)Br)Br)Cn1nc(c(c1Br)Br)Br |
| Title of publication | Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands. |
| Authors of publication | Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 4192 - 4201 |
| a | 23.5567 ± 0.001 Å |
| b | 13.7634 ± 0.001 Å |
| c | 13.9797 ± 0.0007 Å |
| α | 90° |
| β | 95.895 ± 0.002° |
| γ | 90° |
| Cell volume | 4508.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179483 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/80. |
4338056.cif |
| 112722 | 2014-05-04 | cif/ Updating files of 4338055, 4338056, 4338057, 4338058, 4338059, 4338060 Original log message: Adding full bibliography for 4338055--4338060.cif. |
4338056.cif |
| 108900 | 2014-04-04 | cif/ Adding structures of 4338056 via cif-deposit CGI script. |
4338056.cif |
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Users of the data should acknowledge the original authors of the
structural data.