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Information card for entry 2239298
Preview
| Coordinates | 2239298.cif |
|---|---|
| Structure factors | 2239298.hkl |
| Original IUCr paper | HTML |
| Chemical name | Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate |
|---|---|
| Formula | C4 H36 B12 Co N2 O32 |
| Calculated formula | C4 H36 B12 Co N2 O32 |
| SMILES | [B]123[OH][Co]456([OH][B]7(OB(O[B](OB(O1)O)([O]37)[OH]6)O)OB(O2)O)[OH][B]12OB(O)O[B]3([OH]5)OB(O)O[B]([OH]4)(OB(O)O1)[O]23.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O |
| Title of publication | Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate |
| Authors of publication | Jamai, Nabil; Rzaigui, Mohamed; Toumi, Samah Akriche |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m167 - m168 |
| a | 8.226 ± 0.003 Å |
| b | 10.157 ± 0.002 Å |
| c | 11.298 ± 0.004 Å |
| α | 65.98 ± 0.02° |
| β | 74.2 ± 0.03° |
| γ | 69.03 ± 0.05° |
| Cell volume | 796.2 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239298.cif 2239298.hkl |
| 181311 | 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 2/23/92. |
2239298.cif 2239298.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. |
2239298.cif 2239298.hkl |
| 109239 | 2014-04-10 | cif/ hkl/ Adding structures of 2239298 via cif-deposit CGI script. |
2239298.cif 2239298.hkl |
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