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Information card for entry 4129010
Preview
Coordinates | 4129010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H89 Co N2 O2 Si2 |
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Calculated formula | C60 H89 Co N2 O2 Si2 |
SMILES | [Co]12345([O]=[N]1c1ccccc1C)([c]1([c]3([c]5([c]2([c]41C)C)C)C)C)C#[N]c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C.[Si](O[Si](C)(C)C)(C)(C)C |
Title of publication | Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. |
Authors of publication | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 38 |
Pages of publication | 15003 - 15007 |
a | 18.4221 ± 0.0006 Å |
b | 17.1331 ± 0.0004 Å |
c | 36.3469 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11472.1 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0879 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.1047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4129010.html
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Users of the data should acknowledge the original authors of the
structural data.