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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 |
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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 |
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Users of the data should acknowledge the original authors of the
structural data.