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Information card for entry 2017723
Preview
| Coordinates | 2017723.cif |
|---|---|
| Structure factors | 2017723.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium |
|---|---|
| Formula | C9 H17 Cl N2 Ti |
| Calculated formula | C9 H17 Cl N2 Ti |
| SMILES | [Ti]1234(Cl)(N(C)C)(N(C)C)[cH]5[cH]4[cH]3[cH]2[cH]15 |
| Title of publication | Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium, [TiCl(η^5^-C~5~H~5~)(NMe~2~)~2~] |
| Authors of publication | Chapin, Brette M.; Hughs, Lauren D.; Golen, James A.; Rheingold, Arnold L.; Johnson, Adam R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m191 - m193 |
| a | 9.3621 ± 0.0009 Å |
| b | 11.0618 ± 0.001 Å |
| c | 11.5907 ± 0.0011 Å |
| α | 90° |
| β | 104.259 ± 0.001° |
| γ | 90° |
| Cell volume | 1163.37 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180846 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77. |
2017723.cif 2017723.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017723.cif 2017723.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017723.cif 2017723.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017723.cif 2017723.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017723.cif 2017723.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2017723.cif 2017723.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2017723.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.