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Information card for entry 7015471
Preview
| Coordinates | 7015471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H70 Co3 N20 O11 |
|---|---|
| Calculated formula | C80 H50 Co3 N20 O11 |
| SMILES | [Co]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[Co]1(C#N)(C#N)(C#N)(C#N)[n]2cccc3ccc4ccc[n]1c4c23.[Co]1(C#N)(C#N)(C#N)(C#N)[n]2cccc3ccc4ccc[n]1c4c23.c1ccc2ccc3cccnc3c2n1.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | The low spin Co(II) fragment with homoleptic 1,10-phenanthroline ligands: synthesis, structures, DFT investigations, and magnetic properties. |
| Authors of publication | Li, Bo; Zhang, Jingping; Yong, Xue; Li, Wenliang; Zheng, Yiying |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4459 - 4464 |
| a | 12.17 ± 0.0008 Å |
| b | 16.4977 ± 0.0011 Å |
| c | 20.0795 ± 0.0012 Å |
| α | 94.498 ± 0.001° |
| β | 93.493 ± 0.001° |
| γ | 106.921 ± 0.001° |
| Cell volume | 3830.2 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1304 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179858 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54. |
7015471.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015471.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015471.cif |
| 21161 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015470, 7015471 via cif-deposit CGI script. |
7015471.cif |
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