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Information card for entry 1560104
Preview
Coordinates | 1560104.cif |
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Original paper (by DOI) | HTML |
Chemical name | ammonium nickel hexathiocyanatobismuthate |
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Formula | C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 |
Calculated formula | C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 |
Title of publication | Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} |
Authors of publication | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. |
Journal of publication | Chemical Science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3516 - 3525 |
a | 8.4472 ± 0.0012 Å |
b | 8.7119 ± 0.001 Å |
c | 11.9671 ± 0.0009 Å |
α | 97.041 ± 0.006° |
β | 90.364 ± 0.007° |
γ | 91.558 ± 0.009° |
Cell volume | 873.67 ± 0.17 Å3 |
Cell temperature | 260 ± 2 K |
Ambient diffraction temperature | 260 ± 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 | 0.114 |
Residual factor for significantly intense reflections | 0.0963 |
Weighted residual factors for significantly intense reflections | 0.2845 |
Weighted residual factors for all reflections included in the refinement | 0.3111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.266 |
Diffraction radiation wavelength | 0.9455 Å |
Diffraction radiation type | neutrons |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1560104.html
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