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Information card for entry 1566987
Preview
Coordinates | 1566987.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H48 As8 N12 Ni2 O26 V6 |
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Calculated formula | C12 H48 As8 N12 Ni2 O26 V6 |
Title of publication | Composition-driven archetype dynamics in polyoxovanadates |
Authors of publication | Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 20.3058 ± 0.0005 Å |
b | 20.3058 ± 0.0005 Å |
c | 24.3847 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10054.4 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 142 |
Hermann-Mauguin space group symbol | I 41/a c d :2 |
Hall space group symbol | -I 4bd 2c |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0917 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
275461 (current) | 2022-05-17 | cif/ Adding structures of 1566987 via cif-deposit CGI script. |
1566987.cif |
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Users of the data should acknowledge the original authors of the
structural data.