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Information card for entry 4342470
Preview
| Coordinates | 4342470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cr(CO)5(CNArMes2) |
|---|---|
| Formula | C30 H25 Cr N O5 |
| Calculated formula | C30 H25 Cr N O5 |
| SMILES | [Cr](C#[N]c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| 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 | 10.0406 ± 0.0006 Å |
| b | 10.203 ± 0.0007 Å |
| c | 15.5732 ± 0.0014 Å |
| α | 101.23 ± 0.001° |
| β | 92.815 ± 0.001° |
| γ | 118.396 ± 0.001° |
| Cell volume | 1357.86 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179527 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/24. |
4342470.cif |
| 134791 | 2015-04-04 | cif/ Updating files of 4342470, 4342471, 4342472, 4342473, 4342474, 4342475, 4342476, 4342477, 4342478, 4342479, 4342480, 4342481 Original log message: Adding full bibliography for 4342470--4342481.cif. |
4342470.cif |
| 132150 | 2015-02-21 | cif/ Adding structures of 4342470, 4342471, 4342472, 4342473, 4342474, 4342475, 4342476, 4342477, 4342478, 4342479, 4342480, 4342481 via cif-deposit CGI script. |
4342470.cif |
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Users of the data should acknowledge the original authors of the
structural data.