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Information card for entry 4110187
Preview
| Coordinates | 4110187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H72 Cr2 N4 |
|---|---|
| Calculated formula | C52 H72 Cr2 N4 |
| SMILES | CC(c1cccc(c1N1C=CN(c2c(cccc2C(C)C)C(C)C)[Cr]2N(c3c(cccc3C(C)C)C(C)C)C=CN([Cr]12)c1c(cccc1C(C)C)C(C)C)C(C)C)C |
| 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 | 22.387 ± 0.008 Å |
| b | 9.742 ± 0.003 Å |
| c | 24.917 ± 0.007 Å |
| α | 90° |
| β | 112.718 ± 0.018° |
| γ | 90° |
| Cell volume | 5013 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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. |
4110187.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110187.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. |
4110187.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 |
4110187.cif |
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Users of the data should acknowledge the original authors of the
structural data.