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Information card for entry 2235785
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| Coordinates | 2235785.cif |
|---|---|
| Structure factors | 2235785.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate |
|---|---|
| Formula | H24 Li2 Na2 Ni O30 P6 |
| Calculated formula | H24 Li2 Na2 Ni O30 P6 |
| SMILES | [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P1(=O)([O-])OP(=O)([O-])OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-])[O-].[Li+].[Na+].[Na+].O.O.O.O.O.O.[Li+] |
| Title of publication | Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li~2~Na~2~NiP~6~O~18~·12H~2~O |
| Authors of publication | Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | i62 - i63 |
| a | 17.728 ± 0.009 Å |
| b | 10.213 ± 0.002 Å |
| c | 14.801 ± 0.007 Å |
| α | 90° |
| β | 112.04 ± 0.04° |
| γ | 90° |
| Cell volume | 2484 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.56085 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181279 (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 2/23/57. |
2235785.cif 2235785.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. |
2235785.cif 2235785.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235785.cif 2235785.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. | 2235785.cif 2235785.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235785.cif 2235785.hkl |
| 65807 | 2012-09-06 | cif/ Adding structures of 2235785 via cif-deposit CGI script. |
2235785.cif |
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Users of the data should acknowledge the original authors of the
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