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Information card for entry 7004985
Preview
| Coordinates | 7004985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | [PhNC(NH2)(C6H4Me)] |
|---|---|
| Formula | C14 H14 N2 |
| Calculated formula | C14 H14 N2 |
| SMILES | N(=C(N)\c1ccc(cc1)C)/c1ccccc1 |
| Title of publication | Synthesis and structures of selected benzamidinates of Li, Na, Al, Zr and Sn(II) using the C1-symmetric ligands [N(SiMe3)C(C6H4Me-4 or Ph)NPh]-. |
| Authors of publication | Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 5 |
| Pages of publication | 585 - 594 |
| a | 6.6672 ± 0.0005 Å |
| b | 17.708 ± 0.002 Å |
| c | 10.1078 ± 0.0009 Å |
| α | 90° |
| β | 102.654 ± 0.006° |
| γ | 90° |
| Cell volume | 1164.37 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| 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. |
7004985.cif |
| 179753 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004985.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004985.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004985.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004985.cif |
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