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Information card for entry 2229216
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| Coordinates | 2229216.cif |
|---|---|
| Structure factors | 2229216.hkl |
| Original IUCr paper | HTML |
| Chemical name | Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate |
|---|---|
| Formula | Ca H20 Na2 Ni2 O24 P4 |
| Calculated formula | Ca H20 Na2 Ni2 O24 P4 |
| SMILES | [Ni]1([OH2])OP2(=O)O[Ni]3([OH2])(OP(=O)(O1)O2)OP(=O)([O-])OP(=O)([O-])O3.[Ca+2].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O |
| Title of publication | Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate |
| Authors of publication | Cui, Yun-Cheng; Zhao, Yan-Hui |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | i13 - i14 |
| a | 11.934 ± 0.0011 Å |
| b | 32.774 ± 0.004 Å |
| c | 10.986 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4296.9 ± 0.8 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92. |
2229216.cif 2229216.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2229216.cif 2229216.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229216.cif 2229216.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. | 2229216.cif 2229216.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229216.cif 2229216.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229216.cif 2229216.hkl |
| 12304 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229216 via cif-deposit CGI script. |
2229216.cif |
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Users of the data should acknowledge the original authors of the
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