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Information card for entry 7051584
Preview
| Coordinates | 7051584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C37 H57 N2 P |
|---|---|
| Calculated formula | C37 H57 N2 P |
| SMILES | P(/C(=N/c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles |
| Authors of publication | Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Rose, Richard P.; Stasch, Andreas |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2009 |
| Journal volume | 33 |
| Journal issue | 1 |
| Pages of publication | 64 |
| a | 10.96 ± 0.002 Å |
| b | 26.459 ± 0.005 Å |
| c | 12.934 ± 0.003 Å |
| α | 90° |
| β | 112.61 ± 0.03° |
| γ | 90° |
| Cell volume | 3462.5 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7051584.cif |
| 202017 | 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. |
7051584.cif |
| 180069 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/15. |
7051584.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7051584.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7051584.cif |
| 1161 | 2010-05-08 | cif/7/ Adding data from New-J-Chem-2009/. |
7051584.cif |
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Users of the data should acknowledge the original authors of the
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