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Information card for entry 7206178
Preview
| Coordinates | 7206178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H34 Cl2 N2 O2 |
|---|---|
| Calculated formula | C12 H34 Cl2 N2 O2 |
| SMILES | C[N+](C)(CCCCCC[N+](C)(C)C)C.O.[Cl-].O.[Cl-] |
| Title of publication | Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts |
| Authors of publication | Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4427 |
| a | 7.4621 ± 0.001 Å |
| b | 8.1058 ± 0.0011 Å |
| c | 8.4022 ± 0.0011 Å |
| α | 94.013 ± 0.01° |
| β | 116.002 ± 0.012° |
| γ | 99.107 ± 0.011° |
| Cell volume | 445.42 ± 0.12 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0253 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206178.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206178.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206178.cif |
| 23568 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206177, 7206178, 7206179, 7206180, 7206181 via cif-deposit CGI script. |
7206178.cif |
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