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Information card for entry 7212644
Preview
Coordinates | 7212644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H23 Cl2 Co F18 N7 P3 |
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Calculated formula | C32 H23 Cl2 Co F18 N7 P3 |
SMILES | [Co]1234([n]5ccccc5c5[n]1c(cc(c5)Cl)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)Cl)c1[n]4cccc1.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 | 16.3767 ± 0.0006 Å |
b | 12.2742 ± 0.0004 Å |
c | 19.5992 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3939.7 ± 0.2 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for all reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0364 |
Weighted residual factors for all reflections included in the refinement | 0.0356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0876 |
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/7212644.html
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Users of the data should acknowledge the original authors of the
structural data.