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Information card for entry 4101928
Preview
| Coordinates | 4101928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H94 N4 Na Nb O10 |
|---|---|
| Calculated formula | C60 H94 N4 Na Nb O10 |
| SMILES | N(C(C)(C)C)([Nb](=NC(=O)[O-])(N(C(C)(C)C)c1cc(C)cc(C)c1)N(C(C)(C)C)c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.c1(ccccc1)C.[Na+]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1 |
| 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 | 15.8479 ± 0.0017 Å |
| b | 19.368 ± 0.002 Å |
| c | 20.954 ± 0.002 Å |
| α | 90° |
| β | 107.012 ± 0.002° |
| γ | 90° |
| Cell volume | 6150.2 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0916 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178765 (current) | 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. |
4101928.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101928.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101928.cif |
| 24747 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101928 via cif-deposit CGI script. |
4101928.cif |
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Users of the data should acknowledge the original authors of the
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