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Information card for entry 2239331
Preview
| Coordinates | 2239331.cif |
|---|---|
| Structure factors | 2239331.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate |
|---|---|
| Chemical name | 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate |
| Formula | C6 H16 Cd Cl4 N2 O |
| Calculated formula | C6 H16 Cd Cl4 N2 O |
| SMILES | [Cd](Cl)(Cl)([Cl-])[Cl-].C1C[NH+]2CC[NH+]1CC2.O |
| Title of publication | 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate |
| Authors of publication | Ben Rhaiem, Tarek; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m178 |
| a | 8.528 ± 0.005 Å |
| b | 11.653 ± 0.002 Å |
| c | 13.114 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1303.2 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194538 (current) | 2017-03-27 | cif/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000249, 2000272, 2000700, 2000859, 2000860, 2001068, 2001182, 2005497, 2006186, 2006499, 2006795, 2007335, 2009895, 2009997, 2010189, 2010462, 2010463, 2011359, 2012799, 2013158, 2014024, 2015681, 2016172, 2020133, 2020169, 2020170, 2020234, 2100035, 2100877, 2101761, 2103178, 2104511, 2105433, 2106054, 2106222, 2106501, 2106753, 2106856, 2107017, 2200258, 2200845, 2201708, 2201849, 2202298, 2207699, 2208136, 2212179, 2215257, 2217316, 2217868, 2239331, 2300000, 2310439. |
2239331.cif 2239331.hkl |
| 181893 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239331.cif 2239331.hkl |
| 181312 | 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 2/23/93. |
2239331.cif 2239331.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. |
2239331.cif 2239331.hkl |
| 109459 | 2014-04-13 | cif/ hkl/ Adding structures of 2239331 via cif-deposit CGI script. |
2239331.cif 2239331.hkl |
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