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Information card for entry 4071766
Preview
| Coordinates | 4071766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H34 Mo2 N2 S2 |
|---|---|
| Calculated formula | C32 H34 Mo2 N2 S2 |
| SMILES | C[S]1[Mo]23456789%10[C](#[CH]2)[Mo]2%11%12%131%10([cH]1[cH]2[cH]%11[cH]%12[cH]%131)(=[C]=8N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)\[c]13[cH]7[cH]6[cH]5[cH]41)[S]9C |
| Title of publication | C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN) |
| Authors of publication | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4207 |
| a | 8.4425 ± 0.0006 Å |
| b | 11.7806 ± 0.0014 Å |
| c | 14.4002 ± 0.0016 Å |
| α | 100.234 ± 0.01° |
| β | 95.882 ± 0.007° |
| γ | 90.15 ± 0.007° |
| Cell volume | 1401.7 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192774 (current) | 2017-03-02 | cif/4/07/17/ (antanas@echidna.ibt.lt) Removing data item '_symmetry_int_tables_numberloop' since it had a mispelt data name and contained no additional information that was not already in the file in entry 4071766. |
4071766.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071766.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071766.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071766.cif |
| 44023 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071766 via cif-deposit CGI script. |
4071766.cif |
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Users of the data should acknowledge the original authors of the
structural data.