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Information card for entry 8101983
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| Coordinates | 8101983.cif |
|---|
| Chemical name | bis(6,6-dimethylcyclohexadienyl)vanadium |
|---|---|
| Formula | C16 H22 V |
| Calculated formula | C16 H22 V |
| SMILES | [V]12345678([CH]9=[CH]1[CH]2=[CH]3C4C9(C)C)C1[CH]5=[CH]6[CH]7=[CH]8C1(C)C |
| Title of publication | Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~ |
| Authors of publication | Ernst, R. D.; Basta, R.; Arif, A. M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 289 - 290 |
| a | 12.16 ± 0.0003 Å |
| b | 9.0848 ± 0.0003 Å |
| c | 13.2123 ± 0.0004 Å |
| α | 90° |
| β | 104.822 ± 0.0016° |
| γ | 90° |
| Cell volume | 1411.01 ± 0.07 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
8101983.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. |
8101983.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101983.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101983.cif |
| 12722 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101983 via cif-deposit CGI script. |
8101983.cif |
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Users of the data should acknowledge the original authors of the
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