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Information card for entry 7207669
Preview
| Coordinates | 7207669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Co2(biphen)2(py)4).2EtOH |
|---|---|
| Formula | C48 H48 Co2 N4 O6 |
| Calculated formula | C48 H48 Co2 N4 O6 |
| SMILES | c12ccccc1c1ccccc1[O]1[Co]([n]3ccccc3)(O2)([n]2ccccc2)[O]2c3c(c4c(cccc4)O[Co]12([n]1ccccc1)[n]1ccccc1)cccc3.OCC.OCC |
| Title of publication | Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures |
| Authors of publication | Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2732 |
| a | 10.416 ± 0.002 Å |
| b | 11.022 ± 0.002 Å |
| c | 11.536 ± 0.002 Å |
| α | 114.31 ± 0.03° |
| β | 92.94 ± 0.03° |
| γ | 115.71 ± 0.03° |
| Cell volume | 1044 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180407 (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 7/20/76. |
7207669.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207669.cif |
| 52062 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207669, 7207670, 7207671, 7207672, 7207673 via cif-deposit CGI script. |
7207669.cif |
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Users of the data should acknowledge the original authors of the
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