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Information card for entry 2240063
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| Coordinates | 2240063.cif |
|---|---|
| Structure factors | 2240063.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II) |
|---|---|
| Formula | C26 H16 Br2 Co N4 O2 |
| Calculated formula | C26 H16 Br2 Co N4 O2 |
| SMILES | Brc1cc2c3[n]([Co]4(Oc2cc1)Oc1c(c2[n]4c4c([nH]2)cccc4)cc(Br)cc1)c1c([nH]3)cccc1 |
| Title of publication | Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II) |
| Authors of publication | Fan, Yan; Qu, Zhi-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | m363 - m364 |
| a | 22.4334 ± 0.0016 Å |
| b | 8.3598 ± 0.0006 Å |
| c | 30.0748 ± 0.0016 Å |
| α | 90° |
| β | 125.323 ± 0.004° |
| γ | 90° |
| Cell volume | 4601.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1125 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240063.cif 2240063.hkl |
| 181900 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240063.cif 2240063.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240063.cif 2240063.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240063.cif 2240063.hkl |
| 125275 | 2014-10-12 | cif/ hkl/ Adding structures of 2240063 via cif-deposit CGI script. |
2240063.cif 2240063.hkl |
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Users of the data should acknowledge the original authors of the
structural data.