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Information card for entry 7716683
Preview
| Coordinates | 7716683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H40 Mo N4 O4 |
|---|---|
| Calculated formula | C45 H40 Mo N4 O4 |
| Title of publication | An organic-organometallic CO-releasing material comprising 4,4'-bipyridine and molybdenum subcarbonyl building blocks. |
| Authors of publication | Calhau, Isabel B.; Gomes, Ana C.; Mendes, Ricardo F.; Almeida Paz, Filipe A.; Gonçalves, Isabel S; Pillinger, Martyn |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 30 |
| Pages of publication | 12783 - 12796 |
| a | 15.7557 ± 0.0003 Å |
| b | 10.6519 ± 0.0002 Å |
| c | 11.786 ± 0.0003 Å |
| α | 90° |
| β | 93.202 ± 0.002° |
| γ | 90° |
| Cell volume | 1974.93 ± 0.07 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293864 (current) | 2024-08-05 | cif/ Updating files of 7716683, 7716684 Original log message: Adding full bibliography for 7716683--7716684.cif. |
7716683.cif |
| 293479 | 2024-07-20 | cif/ Adding structures of 7716683, 7716684 via cif-deposit CGI script. |
7716683.cif |
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Users of the data should acknowledge the original authors of the
structural data.