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Information card for entry 7036777
Preview
| Coordinates | 7036777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ONbODipp3Py |
|---|---|
| Formula | C45 H64 N Nb O5 |
| Calculated formula | C45 H64 N Nb O5 |
| SMILES | [Nb]([n]1ccccc1)(=O)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.O1CCCC1 |
| Title of publication | Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units. |
| Authors of publication | Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 1891 - 1895 |
| a | 18.4033 ± 0.0017 Å |
| b | 23.17 ± 0.002 Å |
| c | 10.0258 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4275 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036777.cif |
| 176068 | 2016-02-05 | cif/ Updating files of 7036776, 7036777, 7036778, 7036779, 7036780, 7036781 Original log message: Adding full bibliography for 7036776--7036781.cif. |
7036777.cif |
| 160979 | 2015-10-08 | cif/ Adding structures of 7036776, 7036777, 7036778, 7036779, 7036780, 7036781 via cif-deposit CGI script. |
7036777.cif |
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Users of the data should acknowledge the original authors of the
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