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Information card for entry 4071919
Preview
| Coordinates | 4071919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 04217 |
|---|---|
| Formula | C22 H22 Cr |
| Calculated formula | C22 H22 Cr |
| SMILES | [Cr]12345678([c]9%10[c]3([cH]2[cH]1[cH]49)c(ccc%10C)C)[c]12[c]8([cH]7[cH]6[cH]51)c(ccc2C)C |
| Title of publication | Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution |
| Authors of publication | Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5464 |
| a | 15.3746 ± 0.0014 Å |
| b | 18.3542 ± 0.0016 Å |
| c | 12.656 ± 0.001 Å |
| α | 90° |
| β | 108.44 ± 0.002° |
| γ | 90° |
| Cell volume | 3388 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071919.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071919.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071919.cif |
| 44119 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071919 via cif-deposit CGI script. |
4071919.cif |
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Users of the data should acknowledge the original authors of the
structural data.