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Information card for entry 7104097
Preview
| Coordinates | 7104097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C41 H51 N2 P |
|---|---|
| Calculated formula | C41 H51 N2 P |
| SMILES | P(C(=C(Nc1c(cccc1C(C)C)C(C)C)C)/C(=N/c1c(cccc1C(C)C)C(C)C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Inhibited chelation in the new γ-phosphino-β-diketiminate to give phosphine → arsine coordination |
| Authors of publication | Ragogna, Paul J.; Burford, Neil; D'eon, Mark; McDonald, R. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 9 |
| Pages of publication | 1052 - 1053 |
| a | 10.6899 ± 0.0006 Å |
| b | 36.444 ± 0.002 Å |
| c | 10.8213 ± 0.0006 Å |
| α | 90° |
| β | 118.846 ± 0.001° |
| γ | 90° |
| Cell volume | 3692.7 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7104097.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7104097.cif |
| 208980 | 2018-07-12 | cif/7/10/ Updating bibliography in entries 7101389, 7101393, 7101394, 7101412, 7101413, 7101414, 7101415, 7101451, 7101452, 7101453, 7101466, 7101467, 7101468, 7101469, 7101522, 7101523, 7101533, 7101534, 7101590, 7103724, 7103812, 7103813, 7104097, 7104098, 7106833, 7106834, 7106835, 7106836, 7106837, 7106838, 7106839. |
7104097.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. |
7104097.cif |
| 180143 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/40. |
7104097.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7104097.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7104097.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7104097.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7104097.cif |
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