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Information card for entry 4101927
Preview
| Coordinates | 4101927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C42 H63 N4 Nb O3 |
|---|---|
| Calculated formula | C42 H63 N4 Nb O3 |
| SMILES | [Nb](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N=C=O)OC(=O)C(C)(C)C |
| Title of publication | Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex |
| Authors of publication | Jared S. Silvia; Christopher C. Cummins |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 2169 - 2171 |
| a | 10.342 ± 0.0008 Å |
| b | 13.7425 ± 0.0011 Å |
| c | 15.7297 ± 0.0013 Å |
| α | 83.491 ± 0.001° |
| β | 81.063 ± 0.001° |
| γ | 68.663 ± 0.001° |
| Cell volume | 2053.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4101927.cif |
| 178765 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19. |
4101927.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101927.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101927.cif |
| 24746 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101927 via cif-deposit CGI script. |
4101927.cif |
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Users of the data should acknowledge the original authors of the
structural data.