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Information card for entry 7008121
Preview
| Coordinates | 7008121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H55 Mo2 N6 O S5 |
|---|---|
| Calculated formula | C43 H55 Mo2 N6 O S5 |
| SMILES | [Mo]1234([Mo]56([S]=C(S5)N(CCC)CCC)(S2)([N]3(C(=O)[N]46c2ccc(cc2)C)c2ccc(cc2)C)=Nc2ccc(cc2)C)([S]=C(S1)N(CCC)CCC)=Nc1ccc(cc1)C |
| 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 | 12.9948 ± 0.0009 Å |
| b | 13.0247 ± 0.0009 Å |
| c | 16.4809 ± 0.0011 Å |
| α | 88.154 ± 0.001° |
| β | 69.828 ± 0.001° |
| γ | 65.095 ± 0.001° |
| Cell volume | 2353.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179785 (current) | 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. |
7008121.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008121.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008121.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008121.cif |
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Users of the data should acknowledge the original authors of the
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