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Information card for entry 1549482
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Coordinates | 1549482.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe(proptrz)2Pd(CN)4].2H2O |
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Formula | C26 H20 Fe N12 O2 Pd |
Calculated formula | C26 H16 Fe N12 O2 Pd |
Title of publication | Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal. |
Authors of publication | Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 25 |
Pages of publication | 5623 - 5629 |
a | 7.0836 ± 0.0003 Å |
b | 15.1242 ± 0.0006 Å |
c | 13.5688 ± 0.0006 Å |
α | 96.424 ± 0.004° |
β | 97.878 ± 0.004° |
γ | 90.09 ± 0.004° |
Cell volume | 1430.7 ± 0.11 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.0993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549482.html
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