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Information card for entry 4105311
Preview
| Coordinates | 4105311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | niobium arsenide anion |
|---|---|
| Formula | C63 H112 As N3 Na Nb O10 |
| Calculated formula | C63 H112 As N3 Na Nb O10 |
| SMILES | N(c1cc(cc(c1)C)C)(CC(C)(C)C)[Nb](N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)#[As].[O]12CC[O]3CC[O]4CC[O](CC1)[Na]156234[O]2CC[O]1CC[O]5CC[O]6CC2.CCOCC.CCOCC |
| Title of publication | Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4 |
| Authors of publication | Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16233 - 16243 |
| a | 13.998 ± 0.003 Å |
| b | 25.218 ± 0.005 Å |
| c | 19.476 ± 0.004 Å |
| α | 90° |
| β | 95.353 ± 0.004° |
| γ | 90° |
| Cell volume | 6845 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0743 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178799 (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 4/10/53. |
4105311.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105311.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105311.cif |
| 30506 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105311 via cif-deposit CGI script. |
4105311.cif |
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Users of the data should acknowledge the original authors of the
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