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Information card for entry 1516515
Preview
| Coordinates | 1516515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate |
|---|---|
| Chemical name | lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate |
| Formula | C6 H8 Fe La Li N6 O4 |
| Calculated formula | C6 Fe La Li N6 O4 |
| 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 | 7.2338 ± 0.0005 Å |
| b | 7.2338 ± 0.0005 Å |
| c | 14.2923 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 647.69 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.281 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516515.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. |
1516515.cif |
| 115562 | 2014-06-04 | cif/ Adding structures of 1516507, 1516508, 1516509, 1516510, 1516511, 1516512, 1516513, 1516514, 1516515, 1516516 via cif-deposit CGI script. |
1516515.cif |
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Users of the data should acknowledge the original authors of the
structural data.