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Information card for entry 2232087
Preview
| Coordinates | 2232087.cif |
|---|---|
| Structure factors | 2232087.hkl |
| Original IUCr paper | HTML |
| Chemical name | Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate |
|---|---|
| Formula | C2 H16 Co Na2 O16 P4 |
| Calculated formula | C2 H16 Co Na2 O16 P4 |
| SMILES | C1P(=O)(O[Co]2([OH2])(OP1(=O)O)([OH2])OP(=O)(CP(=O)(O)O2)O)O.O.[Na+].O.[Na+] |
| Title of publication | Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate |
| Authors of publication | van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1468 - m1469 |
| a | 6.8694 ± 0.0002 Å |
| b | 13.286 ± 0.0004 Å |
| c | 8.3541 ± 0.0003 Å |
| α | 90° |
| β | 91.375 ± 0.001° |
| γ | 90° |
| Cell volume | 762.23 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 significantly intense reflections | 0.0192 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 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 2/23/20. |
2232087.cif 2232087.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. |
2232087.cif 2232087.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232087.cif 2232087.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232087.cif 2232087.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232087.cif 2232087.hkl |
| 29381 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232087 via cif-deposit CGI script. |
2232087.cif |
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Users of the data should acknowledge the original authors of the
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