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Information card for entry 2225838
Preview
Coordinates | 2225838.cif |
---|---|
Structure factors | 2225838.hkl |
Original IUCr paper | HTML |
Chemical name | {Bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}{tris[5-methyl-3- (trifluoromethyl)pyrazol-1-yl]borato}cobalt(II) |
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Formula | C25 H23 B2 Co F15 N10 |
Calculated formula | C25 H23 B2 Co F15 N10 |
SMILES | [Co]123([n]4n(c(cc4C(F)(F)F)C)[BH](n4[n]1c(cc4C(F)(F)F)C)n1[n]2c(C(F)(F)F)cc1C)[n]1n(c(cc1C(F)(F)F)C)[BH2]n1[n]3c(C(F)(F)F)cc1C |
Title of publication | {Bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}{tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B—H···Co agostic interaction |
Authors of publication | Stibrany, Robert T.; Potenza, Joseph A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 5 |
Pages of publication | m506 - m507 |
a | 10.8195 ± 0.0016 Å |
b | 16.559 ± 0.002 Å |
c | 18.687 ± 0.003 Å |
α | 90° |
β | 98.408 ± 0.003° |
γ | 90° |
Cell volume | 3312 ± 0.8 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1037 |
Weighted residual factors for all reflections included in the refinement | 0.1079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2225838.html
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Users of the data should acknowledge the original authors of the
structural data.