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Information card for entry 4067637
Preview
| Coordinates | 4067637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H58 F3 Mo2 N2 O4 P S |
|---|---|
| Calculated formula | C42 H58 F3 Mo2 N2 O4 P S |
| SMILES | [Mo]1234567([Mo]89%10%11%12([P]1(C1CCCCC1)C1CCCCC1)([C]2(OC)=[C]38c1ccccc1)([cH]1[cH]9[cH]%10[cH]%11[cH]%121)C#[N]C(C)(C)C)([cH]1[cH]7[cH]6[cH]5[cH]41)C#[N]C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Dehydrogenative Formation and Reactivity of the Unsaturated Benzylidyne-Bridged Complex [Mo2Cp2(μ-CPh)(μ-PCy2)(μ-CO)]: C−C and C−P Coupling Reactions |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Menéndez, Sonia; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 710 |
| a | 9.6041 ± 0.0002 Å |
| b | 15.6382 ± 0.0005 Å |
| c | 28.7158 ± 0.0007 Å |
| α | 90° |
| β | 93.126 ± 0.002° |
| γ | 90° |
| Cell volume | 4306.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178567 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76. |
4067637.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067637.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067637.cif |
| 34254 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067635, 4067636, 4067637, 4067638 via cif-deposit CGI script. |
4067637.cif |
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Users of the data should acknowledge the original authors of the
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