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Information card for entry 1517188
Preview
Coordinates | 1517188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C314 H589 N96 Ni32 O224 S11 |
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Calculated formula | C314 N96 Ni32 O224 S11 |
Title of publication | SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds |
Authors of publication | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun |
Journal of publication | Chem. Sci. |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 11 |
Pages of publication | 4163 |
a | 20.5225 ± 0.0008 Å |
b | 39.0486 ± 0.0005 Å |
c | 39.0923 ± 0.0004 Å |
α | 119.844 ± 0.001° |
β | 91.894 ± 0.002° |
γ | 102.976 ± 0.002° |
Cell volume | 26087.7 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.2198 |
Residual factor for significantly intense reflections | 0.1773 |
Weighted residual factors for significantly intense reflections | 0.4747 |
Weighted residual factors for all reflections included in the refinement | 0.5025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.883 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517188.html
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Users of the data should acknowledge the original authors of the
structural data.