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Information card for entry 3000319
Preview
No preview available: structure is on hold until 2022-01-01
Coordinates | Coordinates are not available: structure is on hold until 2022-01-01 |
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Formula | C36 H99.8 N24 Ni3 O46.9 S12 |
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Authors of publication | Moneo Corcuera, Andrea; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Breogan Pato Doldan; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Sanchez Molina, Irene; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Nieto Castro, David; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Galan Mascaros, Jose Ramon; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain. |
Journal of publication | To be published in Molecules |
a | 14.2019 ± 0.0018 Å |
b | 15.2274 ± 0.0017 Å |
c | 21.239 ± 0.002 Å |
α | 81.612 ± 0.004° |
β | 85.261 ± 0.004° |
γ | 83.593 ± 0.004° |
Cell volume | 4505.3 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2088 |
Residual factor for significantly intense reflections | 0.0907 |
Weighted residual factors for significantly intense reflections | 0.234 |
Weighted residual factors for all reflections included in the refinement | 0.3065 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | No |
Has disorder | No |
Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.