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Information card for entry 2104927
Preview
| Coordinates | 2104927.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | hexaaquanickel(II) nitrate (15-crown-5) monohydrate |
|---|---|
| Formula | C10 H34 N2 Ni O18 |
| Calculated formula | C10 H34 N2 Ni O18 |
| Title of publication | Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory |
| Authors of publication | Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | 130 - 143 |
| a | 8.134 ± 0.002 Å |
| b | 16.675 ± 0.004 Å |
| c | 8.926 ± 0.002 Å |
| α | 90° |
| β | 106.09 ± 0.01° |
| γ | 90° |
| Cell volume | 1163.2 ± 0.5 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2104927.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2104927.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104927.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104927.cif |
| 19157 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2104912, 2104913, 2104914, 2104915, 2104916, 2104917, 2104918, 2104919, 2104920, 2104921, 2104922, 2104923, 2104924, 2104925, 2104926, 2104927, 2104928, 2104929, 2104930, 2104931, 2104932, 2104933, 2104934, 2104935, 2104936, 2104937, 2104938, 2104939 via cif-deposit CGI script. |
2104927.cif |
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Users of the data should acknowledge the original authors of the
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