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Information card for entry 4075708
Preview
| Coordinates | 4075708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H47 Mo2 O2 P Sn |
|---|---|
| Calculated formula | C42 H47 Mo2 O2 P Sn |
| SMILES | [Mo]123456([Mo]789%10([Sn]1(c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31 |
| Title of publication | A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity |
| Authors of publication | Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 7 |
| a | 8.974 ± 0.002 Å |
| b | 12.207 ± 0.003 Å |
| c | 17.457 ± 0.004 Å |
| α | 94.374 ± 0.004° |
| β | 97.325 ± 0.004° |
| γ | 95.911 ± 0.004° |
| Cell volume | 1878.9 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075708.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075708.cif |
| 50632 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075706, 4075707, 4075708, 4075709 via cif-deposit CGI script. |
4075708.cif |
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Users of the data should acknowledge the original authors of the
structural data.