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Information card for entry 7014903
Preview
| Coordinates | 7014903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H17 N3 |
|---|---|
| Calculated formula | C15 H17 N3 |
| SMILES | N(c1ccccc1)C(=NN(C)C)c1ccccc1 |
| Title of publication | Synthesis and coordination chemistry of tri-substituted benzamidrazones. |
| Authors of publication | Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 2 |
| Pages of publication | 514 - 522 |
| a | 8.8213 ± 0.0014 Å |
| b | 9.2284 ± 0.0015 Å |
| c | 9.3398 ± 0.0015 Å |
| α | 80.219 ± 0.002° |
| β | 75.043 ± 0.002° |
| γ | 62.591 ± 0.002° |
| Cell volume | 650.94 ± 0.18 Å3 |
| Cell temperature | 155 ± 2 K |
| Ambient diffraction temperature | 155 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7014903.cif |
| 179853 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/49. |
7014903.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014903.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014903.cif |
| 14880 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014903, 7014904, 7014905, 7014906 via cif-deposit CGI script. |
7014903.cif |
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Users of the data should acknowledge the original authors of the
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