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Information card for entry 8102168
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| Coordinates | 8102168.cif |
|---|
| Chemical name | bis(η^5^-6,6-dimethylcyclohexadienyl)chromium |
|---|---|
| Formula | C16 H22 Cr |
| Calculated formula | C16 H22 Cr |
| SMILES | [Cr]12345678([CH]9=[CH]1[CH]2=[CH]3C4C9(C)C)[CH]1=[CH]5[CH]6=[CH]7C8C1(C)C |
| Title of publication | Crystal structure of bis(η^5^-6,6-dimethylcyclohexadienyl)chromium, Cr(C~8~H~11~)~2~ |
| Authors of publication | Ernst, Richard D.; Basta, Rehan; Arif, Atta M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 335 - 336 |
| a | 7.6112 ± 0.0002 Å |
| b | 9.2521 ± 0.0004 Å |
| c | 20.2174 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1423.7 ± 0.1 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296806 (current) | 2024-12-09 | Corrected misspelt variants of the '_diffrn_measured_fraction_theta_full' and '_diffrn_measured_fraction_theta_max' data names in multiple entries. |
8102168.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102168.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102168.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102168.cif |
| 12907 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102168 via cif-deposit CGI script. |
8102168.cif |
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Users of the data should acknowledge the original authors of the
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