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Information card for entry 7206696
Preview
| Coordinates | 7206696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H20 Br2 Co O6 |
|---|---|
| Calculated formula | C8 H20 Br2 Co O6 |
| Title of publication | Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D |
| Authors of publication | Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6801 |
| a | 5.8213 ± 0.0015 Å |
| b | 6.9778 ± 0.0018 Å |
| c | 10.275 ± 0.003 Å |
| α | 99.636 ± 0.003° |
| β | 101.641 ± 0.003° |
| γ | 112.746 ± 0.002° |
| Cell volume | 362.81 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180397 (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 7/20/66. |
7206696.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206696.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206696.cif |
| 29987 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206695, 7206696, 7206697, 7206698, 7206699 via cif-deposit CGI script. |
7206696.cif |
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Users of the data should acknowledge the original authors of the
structural data.