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Information card for entry 4342475
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Coordinates | 4342475.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cr(CO)5(CNArClips) |
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Formula | C28 H17 Cl4 Cr N O5 |
Calculated formula | C28 H17 Cl4 Cr N O5 |
SMILES | [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]c1c(cc(C(C)(C)C)cc1c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl |
Title of publication | Comparative measure of the electronic influence of highly substituted aryl isocyanides. |
Authors of publication | Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 6 |
Pages of publication | 2936 - 2944 |
a | 6.4468 ± 0.0004 Å |
b | 12.949 ± 0.0008 Å |
c | 17.043 ± 0.001 Å |
α | 94.61 ± 0.003° |
β | 91.736 ± 0.003° |
γ | 96.334 ± 0.003° |
Cell volume | 1408.38 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0499 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.0962 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation probe | x-ray |
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/4342475.html
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Users of the data should acknowledge the original authors of the
structural data.