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Information card for entry 7112247
Preview
| Coordinates | 7112247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Binaph-P2-NMe2 (3) |
|---|---|
| Chemical name | (1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(dimethylamino)phosphazenyl]bis(dimethylamino)phosphoranylidene) |
| Formula | C40 H72 N14 P4 |
| Calculated formula | C40 H72 N14 P4 |
| SMILES | c1(c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)c1c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C |
| Title of publication | Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex |
| Authors of publication | Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4319 |
| a | 10.5097 ± 0.001 Å |
| b | 13.3588 ± 0.0014 Å |
| c | 16.9068 ± 0.0017 Å |
| α | 87.901 ± 0.004° |
| β | 89.867 ± 0.004° |
| γ | 82.976 ± 0.004° |
| Cell volume | 2354.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112247.cif |
| 180236 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22. |
7112247.cif |
| 108973 | 2014-04-07 | cif/ Adding structures of 7112247, 7112248, 7112249 via cif-deposit CGI script. |
7112247.cif |
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