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Information card for entry 4110186
Preview
| Coordinates | 4110186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H72 Cl2 Cr2 N4 |
|---|---|
| Calculated formula | C52 H72 Cl2 Cr2 N4 |
| SMILES | [Cr]12([N](=CC=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Cl][Cr]2([N](=CC=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Cl]1 |
| Title of publication | The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear Chromium Diazadiene Complex |
| Authors of publication | Kevin A. Kreisel; Glenn P. A. Yap; Olga Dmitrenko; Clark R. Landis; Klaus H. Theopold |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14162 - 14163 |
| a | 16.248 ± 0.004 Å |
| b | 18.476 ± 0.005 Å |
| c | 16.988 ± 0.004 Å |
| α | 90° |
| β | 94.269 ± 0.005° |
| γ | 90° |
| Cell volume | 5086 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1163 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110186.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110186.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110186.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110186.cif |
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Users of the data should acknowledge the original authors of the
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