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Information card for entry 4342481
Preview
| Coordinates | 4342481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cr(CO)5(CNXylyl) |
|---|---|
| Formula | C14 H9 Cr N O5 |
| Calculated formula | C14 H9 Cr N O5 |
| SMILES | C(#[O])[Cr](C#[O])(C#[O])(C#[N]c1c(C)cccc1C)(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 | 7.3313 ± 0.0003 Å |
| b | 13.1945 ± 0.0006 Å |
| c | 14.5373 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1406.23 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4342481.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4342481.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. |
4342481.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. |
4342481.cif |
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Users of the data should acknowledge the original authors of the
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