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Information card for entry 7112249
Preview
| Coordinates | 7112249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Pyr)3P=N-P(Pyr)2Br2 (1) |
|---|---|
| Chemical name | [tris(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)bromophosphonium bromide |
| Formula | C10 H30 Br2 N6 P2 |
| Calculated formula | C10 H30 Br2 N6 P2 |
| SMILES | BrP(=N[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.[Br-] |
| 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 | 8.1153 ± 0.0005 Å |
| b | 9.5111 ± 0.0006 Å |
| c | 13.1754 ± 0.0009 Å |
| α | 108.141 ± 0.005° |
| β | 92.459 ± 0.005° |
| γ | 94.663 ± 0.005° |
| Cell volume | 960.7 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 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. |
7112249.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. |
7112249.cif |
| 126140 | 2014-11-01 | cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries. |
7112249.cif |
| 108973 | 2014-04-07 | cif/ Adding structures of 7112247, 7112248, 7112249 via cif-deposit CGI script. |
7112249.cif |
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Users of the data should acknowledge the original authors of the
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