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Information card for entry 7015470
Preview
| Coordinates | 7015470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H42 Co3 N16 O3 |
|---|---|
| Calculated formula | C58 H40 Co3 N16 O3 |
| SMILES | [Co]1(C#N)(C#N)(C#N)(C#[N][Co]23([N]#C[Co]4(C#N)(C#N)(C#N)[n]5cccc6ccc7ccc[n]4c7c56)([n]4cccc5ccc6ccc[n]2c6c45)[n]2cccc4ccc5ccc[n]3c5c24)[n]2cccc3ccc4ccc[n]1c4c23.CCO.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 | 12.9005 ± 0.0011 Å |
| b | 14.3387 ± 0.0012 Å |
| c | 16.4886 ± 0.0013 Å |
| α | 71.04 ± 0.001° |
| β | 81.626 ± 0.001° |
| γ | 65.462 ± 0.001° |
| Cell volume | 2623.8 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
7015470.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015470.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015470.cif |
| 21161 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015470, 7015471 via cif-deposit CGI script. |
7015470.cif |
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