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Information card for entry 4066757
Preview
| Coordinates | 4066757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H84 N4 V2 |
|---|---|
| Calculated formula | C64 H84 N4 V2 |
| SMILES | [c]12([c]3([V]4567891([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)([c]2([c]9([c]38C)C)C)[n]1ccc(cc1)/N=N/c1cc[n](cc1)[V]12345678([c]9([c]8([c]3([c]2([c]19C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C)C)C.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 11.3996 ± 0.0006 Å |
| b | 13.5491 ± 0.0011 Å |
| c | 18.5308 ± 0.001 Å |
| α | 90° |
| β | 103.22 ± 0.006° |
| γ | 90° |
| Cell volume | 2786.3 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0932 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.794 |
| 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. |
4066757.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066757.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066757.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. |
4066757.cif |
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Users of the data should acknowledge the original authors of the
structural data.