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Information card for entry 1516510
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| Coordinates | 1516510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate |
|---|---|
| Chemical name | praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate |
| Formula | C6 H9 Co N6 O4.5 Pr |
| Calculated formula | C6 Co N6 O4.5 Pr |
| Title of publication | Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) |
| Authors of publication | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 3409 |
| a | 7.431 ± 0.007 Å |
| b | 12.815 ± 0.011 Å |
| c | 14.298 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1362 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0787 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1836 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
1516510.cif |
| 121565 | 2014-08-08 | cif/ Updating files of 1516507, 1516508, 1516509, 1516510, 1516511, 1516512, 1516513, 1516514, 1516515, 1516516 Original log message: Adding full bibliography for 1516507--1516516.cif. |
1516510.cif |
| 115562 | 2014-06-04 | cif/ Adding structures of 1516507, 1516508, 1516509, 1516510, 1516511, 1516512, 1516513, 1516514, 1516515, 1516516 via cif-deposit CGI script. |
1516510.cif |
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Users of the data should acknowledge the original authors of the
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