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Information card for entry 7212645
Preview
| Coordinates | 7212645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H29.5 Co F18 N8.5 P3 |
|---|---|
| Calculated formula | C35 H29.5 Co F18 N8.5 P3 |
| SMILES | [Co]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.N#CC.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes |
| Authors of publication | Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 2949 |
| a | 11.3947 ± 0.0008 Å |
| b | 17.8294 ± 0.0013 Å |
| c | 20.2985 ± 0.0015 Å |
| α | 89.555 ± 0.004° |
| β | 87.865 ± 0.004° |
| γ | 83.293 ± 0.004° |
| Cell volume | 4092.8 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for all reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.0322 |
| Weighted residual factors for all reflections included in the refinement | 0.0322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180457 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26. |
7212645.cif |
| 119664 | 2014-07-08 | cif/7 Fixing Z value / formula for several entries. |
7212645.cif |
| 93181 | 2014-01-12 | cif/ Adding structures of 7212637, 7212638, 7212639, 7212640, 7212641, 7212642, 7212643, 7212644, 7212645, 7212646, 7212647 via cif-deposit CGI script. |
7212645.cif |
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Users of the data should acknowledge the original authors of the
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