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Information card for entry 4064169
Preview
| Coordinates | 4064169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cp*Ti{MeC(NiPr)2}{NNMe2) |
|---|---|
| Formula | C20 H38 N4 Ti |
| Calculated formula | C20 H35.5 N4 Ti |
| Title of publication | Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions |
| Authors of publication | Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1182 |
| a | 9.3311 ± 0.0002 Å |
| b | 14.7945 ± 0.0004 Å |
| c | 16.4429 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2269.93 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P b n m |
| Hall space group symbol | -P 2c 2ab |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for all reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9446 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064169.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064169.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064169.cif |
| 32807 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064167, 4064168, 4064169, 4064170, 4064171, 4064172, 4064173, 4064174, 4064175, 4064176 via cif-deposit CGI script. |
4064169.cif |
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