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Information card for entry 7008122
Preview
| Coordinates | 7008122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H84 Mo4 N8 S12 |
|---|---|
| Calculated formula | C56 H84 Mo4 N8 S12 |
| SMILES | C1(=[S][Mo]234(=Nc5ccc(cc5)C)([S]5[Mo]672(=Nc2ccc(cc2)C)([S]=C(N(CCC)CCC)S6)[S]4[Mo]246(=Nc8ccc(cc8)C)([S]=C(N(CCC)CCC)S2)[S]3[Mo]256(=Nc3ccc(cc3)C)([S]=C(N(CCC)CCC)S2)[S]74)S1)N(CCC)CCC |
| Title of publication | Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr). |
| Authors of publication | Hogarth, Graeme; Richards, Idris |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 4 |
| Pages of publication | 760 - 773 |
| a | 12.4558 ± 0.0005 Å |
| b | 12.4558 ± 0.0005 Å |
| c | 49.648 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7702.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211691 (current) | 2018-10-29 | cif/7: Fixing Z values and formulae |
7008122.cif |
| 179785 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/81. |
7008122.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008122.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008122.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008122.cif |
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