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Information card for entry 7206074
Preview
| Coordinates | 7206074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Br6 Cu N2 |
|---|---|
| Calculated formula | C10 H10 Br6 Cu N2 |
| SMILES | [Cu](Br)(Br)([Br-])[Br-].[nH+]1cc(Br)ccc1.[nH+]1cc(Br)ccc1 |
| Title of publication | Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas |
| Authors of publication | Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4400 |
| a | 6.585083 ± 0.000072 Å |
| b | 8.604378 ± 0.000094 Å |
| c | 16.26256 ± 0.00017 Å |
| α | 89.7706 ± 0.00071° |
| β | 89.4765 ± 0.00062° |
| γ | 79.1189 ± 0.00068° |
| Cell volume | 904.839 ± 0.017 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 3.292 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180391 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60. |
7206074.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7206074.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206074.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206074.cif |
| 23515 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206074 via cif-deposit CGI script. |
7206074.cif |
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