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Information card for entry 4350235
Preview
Coordinates | 4350235.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 B2 Co F8 N6 O3 |
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Calculated formula | C30 H20 B2 Co F8 N6 O3 |
SMILES | [Co]1234([n]5c(c6[n]2cccc6)cc(O)cc5c2[n]1cccc2)[n]1c(c2[n]4cccc2)cc(O)cc1c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O |
Title of publication | Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O. |
Authors of publication | Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4413 - 4422 |
a | 8.6953 ± 0.0006 Å |
b | 9.3235 ± 0.001 Å |
c | 20.24 ± 0.002 Å |
α | 78.63 ± 0.09° |
β | 78.282 ± 0.007° |
γ | 87.78 ± 0.007° |
Cell volume | 1575.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2151 |
Residual factor for significantly intense reflections | 0.095 |
Weighted residual factors for significantly intense reflections | 0.2185 |
Weighted residual factors for all reflections included in the refinement | 0.2677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4350235.html
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