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Information card for entry 4070438
Preview
| Coordinates | 4070438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 Cl4 N2 Si2 Ti2 |
|---|---|
| Calculated formula | C24 H40 Cl4 N2 Si2 Ti2 |
| SMILES | [c]123[c]4([c]5([c]6([c]1(C)[Ti]3456(N(CCN1[Si]([c]34[c]5([c]6([c]7([c]3(C)[Ti]14567(Cl)Cl)C)C)C)(C)C)[Si]2(C)C)(Cl)Cl)C)C)C |
| Title of publication | M−Cl/Si−Cl Preferential Reactivity in Chlorosilyl-Substituted Cyclopentadienyl Early Transition Metal Complexes in Reactions with Amines: Key to Understanding the Nature of the Final Product |
| Authors of publication | Paniagua, Cristina; Mosquera, Marta E. G.; Jacobsen, Heiko; Jiménez, Gerardo; Cuenca, Tomás |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 24 |
| Pages of publication | 6975 |
| a | 8.588 ± 0.0007 Å |
| b | 12.153 ± 0.003 Å |
| c | 15.442 ± 0.003 Å |
| α | 90° |
| β | 93.376 ± 0.01° |
| γ | 90° |
| Cell volume | 1608.9 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178593 (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 4/07/04. |
4070438.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070438.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070438.cif |
| 40721 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070436, 4070437, 4070438 via cif-deposit CGI script. |
4070438.cif |
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Users of the data should acknowledge the original authors of the
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