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Information card for entry 4068470
Preview
| Coordinates | 4068470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H48 N4 S Si3 Zr |
|---|---|
| Calculated formula | C19 H48 N4 S Si3 Zr |
| SMILES | [Zr]123(SC(C)(C)C)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C |
| Title of publication | General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate |
| Authors of publication | Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 573 |
| a | 11.8438 ± 0.0005 Å |
| b | 20.154 ± 0.0008 Å |
| c | 12.0195 ± 0.0005 Å |
| α | 90° |
| β | 95.389 ± 0.001° |
| γ | 90° |
| Cell volume | 2856.4 ± 0.2 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 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 | 0.025 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178574 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84. |
4068470.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068470.cif |
| 39779 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068467, 4068468, 4068469, 4068470, 4068471 via cif-deposit CGI script. |
4068470.cif |
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Users of the data should acknowledge the original authors of the
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