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Information card for entry 4066713
Preview
| Coordinates | 4066713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H17 N2 P |
|---|---|
| Calculated formula | C18 H17 N2 P |
| SMILES | P(Cc1ncccc1)(Cc1ncccc1)c1ccccc1 |
| Title of publication | Coordination Site SelectiveJanus HeadLigands† |
| Authors of publication | Objartel, Ina; Pott, Nils A.; John, Michael; Stalke, Dietmar |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5670 |
| a | 16.1084 ± 0.0012 Å |
| b | 5.5316 ± 0.0004 Å |
| c | 17.9425 ± 0.0014 Å |
| α | 90° |
| β | 111.486 ± 0.001° |
| γ | 90° |
| Cell volume | 1487.67 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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. |
4066713.cif |
| 178559 | 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. |
4066713.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066713.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066713.cif |
| 33968 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066713, 4066714, 4066715 via cif-deposit CGI script. |
4066713.cif |
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Users of the data should acknowledge the original authors of the
structural data.