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Information card for entry 7704506
Preview
| Coordinates | 7704506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H73 B Mo N3 Na O16 P6 |
|---|---|
| Calculated formula | C55 H73 B Mo N3 Na O16 P6 |
| SMILES | [Mo]12([p]3c(O[B](Oc4[p]2pc2n4cccc2)(Oc2[p]1pc1n2cccc1)c1ccccc1)n1c(p3)cccc1)(C#[O])(C#[O])C#[O].[Na]12345([O]6CC[O]2CC[O]4CC[O]3CC[O]5CC[O]1CC6)([O]1CCCC1)[O]1CCCC1.O1CCCC1.C1OCCC1 |
| Title of publication | 1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes. |
| Authors of publication | Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 24 |
| Pages of publication | 8201 - 8208 |
| a | 12.9566 ± 0.0004 Å |
| b | 29.5914 ± 0.0008 Å |
| c | 16.6475 ± 0.0005 Å |
| α | 90° |
| β | 90.824 ± 0.003° |
| γ | 90° |
| Cell volume | 6382.1 ± 0.3 Å3 |
| Cell temperature | 107 ± 6 K |
| Ambient diffraction temperature | 107 ± 6 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1108 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 253867 (current) | 2020-07-06 | cif/ Updating files of 7704506, 7704507, 7704508, 7704509, 7704510, 7704511, 7704512, 7704513, 7704514, 7704515, 7704516, 7704517 Original log message: Adding full bibliography for 7704506--7704517.cif. |
7704506.cif |
| 252421 | 2020-05-28 | cif/ Adding structures of 7704506, 7704507, 7704508, 7704509, 7704510, 7704511, 7704512, 7704513, 7704514, 7704515, 7704516, 7704517 via cif-deposit CGI script. |
7704506.cif |
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Users of the data should acknowledge the original authors of the
structural data.