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Information card for entry 4066758
Preview
| Coordinates | 4066758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 B N2 V |
|---|---|
| Calculated formula | C38 H34 B N2 V |
| SMILES | [V]12345678([n]9ccncc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives† |
| Authors of publication | Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5859 |
| a | 20.7795 ± 0.001 Å |
| b | 9.492 ± 0.0006 Å |
| c | 15.3284 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3023.4 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.77 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178559 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/67. |
4066758.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066758.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066758.cif |
| 33974 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066755, 4066756, 4066757, 4066758, 4066759, 4066760, 4066761, 4066762, 4066763 via cif-deposit CGI script. |
4066758.cif |
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Users of the data should acknowledge the original authors of the
structural data.