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Information card for entry 7212637
Preview
Coordinates | 7212637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H26 Co F12 N6 O2 P2 |
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Calculated formula | C32 H26 Co F12 N6 O2 P2 |
SMILES | [Co]1234([n]5ccccc5c5[n]1c(cc(c5)OC)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)OC)c1[n]4cccc1.[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 | 18.9611 ± 0.0017 Å |
b | 9.3533 ± 0.0009 Å |
c | 19.6865 ± 0.0018 Å |
α | 90° |
β | 102.36 ± 0.004° |
γ | 90° |
Cell volume | 3410.5 ± 0.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1464 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections | 0.2162 |
Weighted residual factors for significantly intense reflections | 0.1845 |
Weighted residual factors for all reflections included in the refinement | 0.2162 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9258 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7212637.html
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Users of the data should acknowledge the original authors of the
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