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Information card for entry 2240628
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| Coordinates | 2240628.cif |
|---|---|
| Structure factors | 2240628.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-poly[[[bis(1,4-diazoniabicyclo[2.2.2]octane) [tetraachloridoantimonate(III)]-μ-chlorido-[tetrachloridoantimonate(III)]-μ-chlorido]] monohydrate] |
|---|---|
| Formula | C12 H30 Cl10 N4 O Sb2 |
| Calculated formula | C12 H30 Cl10 N4 O Sb2 |
| SMILES | O.C1C[NH+]2CC[NH+]1CC2.C1C[NH+]2CC[NH+]1CC2.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].Cl[Sb](Cl)(Cl)[Cl-] |
| Title of publication | Crystal structure of a new hybrid antimony‒halide-based compound for possible non-linear optical applications |
| Authors of publication | Ben Rhaiem, Tarek; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 498 - 501 |
| a | 29.122 ± 0.003 Å |
| b | 8.4029 ± 0.001 Å |
| c | 11.358 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2779.4 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240628.cif 2240628.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240628.cif 2240628.hkl |
| 136419 | 2015-05-13 | cif/ hkl/ Adding structures of 2240628 via cif-deposit CGI script. |
2240628.cif 2240628.hkl |
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Users of the data should acknowledge the original authors of the
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