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Information card for entry 2239251
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| Coordinates | 2239251.cif |
|---|---|
| Structure factors | 2239251.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate |
|---|---|
| Formula | C16 H36 Co N2 O20 P4 |
| Calculated formula | C16 H36 Co N2 O20 P4 |
| SMILES | c1(c(cccc1)OC)C[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.O.c1(c(cccc1)OC)C[NH3+].O |
| Title of publication | Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate |
| Authors of publication | Elboulali, Adel; Selmi, Ahmed; Ratel-Ramond, Nicolas; Rzaigui, Mohamed; Akriche, Samah Toumi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m145 - m146 |
| a | 14.05 ± 0.005 Å |
| b | 11.971 ± 0.005 Å |
| c | 9.161 ± 0.005 Å |
| α | 90° |
| β | 93.718 ± 0.005° |
| γ | 90° |
| Cell volume | 1537.6 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.1399 |
| Residual factor for significantly intense reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.2308 |
| Weighted residual factors for all reflections included in the refinement | 0.2658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2239251.cif 2239251.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. |
2239251.cif 2239251.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. |
2239251.cif 2239251.hkl |
| 108823 | 2014-04-03 | cif/ hkl/ Adding structures of 2239251 via cif-deposit CGI script. |
2239251.cif 2239251.hkl |
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Users of the data should acknowledge the original authors of the
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