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Information card for entry 2239534
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| Coordinates | 2239534.cif |
|---|---|
| Structure factors | 2239534.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate |
|---|---|
| Formula | C10 H32 Bi2 Br10 N4 O2 |
| Calculated formula | C10 H32 Bi2 Br10 N4 O2 |
| SMILES | O.[Bi]1([Br][Bi]([Br]1)(Br)(Br)(Br)Br)(Br)(Br)(Br)Br.C[NH+]1CC[NH2+]CC1.O.C[NH+]1CC[NH2+]CC1 |
| Title of publication | Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate |
| Authors of publication | Essid, Manel; Roisnel, Thierry; Marouani, Houda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m202 - m203 |
| a | 7.9263 ± 0.0003 Å |
| b | 19.0424 ± 0.0007 Å |
| c | 12.5861 ± 0.0004 Å |
| α | 90° |
| β | 125.77 ± 0.002° |
| γ | 90° |
| Cell volume | 1541.35 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0258 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239534.cif 2239534.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239534.cif 2239534.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239534.cif 2239534.hkl |
| 113302 | 2014-05-10 | cif/ hkl/ Adding structures of 2239534 via cif-deposit CGI script. |
2239534.cif 2239534.hkl |
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Users of the data should acknowledge the original authors of the
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