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Information card for entry 7017007
Preview
Coordinates | 7017007.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H13 Cl2 Co N3 O |
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Calculated formula | C16 H13 Cl2 Co N3 O |
SMILES | [Co]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(OC)c3)c1[n]2cccc1 |
Title of publication | Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence. |
Authors of publication | Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 43 |
Pages of publication | 11441 - 11450 |
a | 19.5517 ± 0.0006 Å |
b | 8.9285 ± 0.0003 Å |
c | 17.7411 ± 0.0005 Å |
α | 90° |
β | 92.404 ± 0.001° |
γ | 90° |
Cell volume | 3094.29 ± 0.17 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
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 | 0.0265 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for all reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0232 |
Weighted residual factors for all reflections included in the refinement | 0.0213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0497 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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