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Information card for entry 4104789
Preview
| Coordinates | 4104789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H55 B N4 O Si3 U |
|---|---|
| Calculated formula | C31 H55 B N4 O Si3 U |
| SMILES | [U]1234(N([Si](C1B(c1ccccc1)c1ccccc1)(C)C)CC[N]2(CCN3[Si](C)(C)C)CCN4[Si](C)(C)C)[O]1CCCC1 |
| Title of publication | A Crystallizable Dinuclear Tuck-In-Tuck-Over Tuck-Over Dialkyl Tren Uranium Complex and Double Dearylation of BPh4- To Give the BPh2-Functionalized Metallocycle [U{N(CH2CH2NSiMe3)2(CH2CH2NSiMe2CHBPh2)}(THF)] |
| Authors of publication | Benedict M. Gardner; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 10388 - 10389 |
| a | 10.0582 ± 0.001 Å |
| b | 18.9912 ± 0.0019 Å |
| c | 19.5054 ± 0.0019 Å |
| α | 90° |
| β | 100.881 ± 0.002° |
| γ | 90° |
| Cell volume | 3658.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178793 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/47. |
4104789.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104789.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104789.cif |
| 29819 | 2011-11-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4104789 via cif-deposit CGI script. |
4104789.cif |
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