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Information card for entry 1516511
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Coordinates | 1516511.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate |
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Chemical name | praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate |
Formula | C6 H9 Fe N6 O4.5 Pr |
Calculated formula | C6 Fe 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 | 7.523 ± 0.008 Å |
b | 13.117 ± 0.014 Å |
c | 14.476 ± 0.015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1428 ± 3 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 | 0.0812 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1803 |
Weighted residual factors for all reflections included in the refinement | 0.1869 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1516511.html
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