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Information card for entry 1555285
Preview
| Coordinates | 1555285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H39 Mo N P2 |
|---|---|
| Calculated formula | C37 H39 Mo N P2 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)Cc2cccc3[n]2[Mo]2451([CH2]=[CH2]2)([CH2]=[CH2]4)([CH2]=[CH2]5)[P](C3)(c1ccccc1)c1ccccc1 |
| Title of publication | Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands |
| Authors of publication | Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 37 |
| Pages of publication | 8541 |
| a | 10.994 ± 0.006 Å |
| b | 13.807 ± 0.007 Å |
| c | 23.317 ± 0.01 Å |
| α | 90° |
| β | 97.29 ± 0.03° |
| γ | 90° |
| Cell volume | 3511 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 238437 (current) | 2019-11-24 | cif/ Adding structures of 1555285, 1555286, 1555287, 1555288, 1555289, 1555290 via cif-deposit CGI script. |
1555285.cif |
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Users of the data should acknowledge the original authors of the
structural data.