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Information card for entry 7111921
Preview
Coordinates | 7111921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H94 Cr2 N6 |
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Calculated formula | C64 H82 Cr2 N6 |
SMILES | C1C=[N](c2c(cccc2C(C)C)C(C)C)[Cr]23([N]=1c1c(cccc1C(C)C)C(C)C)N(c1ccccc1)[Cr]12([N](c2c(cccc2C(C)C)C(C)C)=C(C=[N]1c1c(cccc1C(C)C)C(C)C))N3c1ccccc1 |
Title of publication | Binding and activation of small molecules by a quintuply bonded chromium dimer |
Authors of publication | Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 2579 |
a | 10.073 ± 0.002 Å |
b | 13.461 ± 0.003 Å |
c | 13.59 ± 0.003 Å |
α | 79.66 ± 0.03° |
β | 81.58 ± 0.03° |
γ | 80.96 ± 0.03° |
Cell volume | 1777 ± 0.7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0866 |
Weighted residual factors for significantly intense reflections | 0.2346 |
Weighted residual factors for all reflections included in the refinement | 0.2365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/7111921.html
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Users of the data should acknowledge the original authors of the
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