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Information card for entry 7018927
Preview
| Coordinates | 7018927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H63 N4 O3 P Si4 W |
|---|---|
| Calculated formula | C24 H63 N4 O3 P Si4 W |
| SMILES | [W]1([N]([Si](C)(C)C)=P(N1[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)OC(C)(C)C)(#N)(OC(C)(C)C)OC(C)(C)C |
| Title of publication | Reaction of N[triple bond, length as m-dash]W(O(t)Bu)(3) with σ(3)λ(5)-phosphoranes. The [2 + 2] cycloaddition across the W[triple bond, length as m-dash]N triple bond results in the first representative of an inorganic four-membered metallacycle with conjugated endo- and exocyclic double bonds. |
| Authors of publication | Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Lis, Tadeusz; Khavryuchenko, Oleksiy V.; Rusanov, Eduard B.; Brusilovets, Anatolii I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 17 |
| Pages of publication | 5132 - 5136 |
| a | 19.306 ± 0.006 Å |
| b | 17.072 ± 0.005 Å |
| c | 22.603 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7450 ± 4 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0379 |
| Weighted residual factors for all reflections included in the refinement | 0.0388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179893 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89. |
7018927.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018927.cif |
| 55997 | 2012-05-08 | cif/ Adding structures of 7018927, 7018928 via cif-deposit CGI script. |
7018927.cif |
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