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Information card for entry 7245749
Preview
Coordinates | 7245749.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H28 O33 Zn6 |
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Calculated formula | C60 H27.9997 O32.9999 Zn6 |
Title of publication | A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties |
Authors of publication | Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 16.5095 ± 0.0007 Å |
b | 16.5095 ± 0.0007 Å |
c | 24.5306 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5790.4 ± 0.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.1441 |
Residual factor for significantly intense reflections | 0.0983 |
Weighted residual factors for significantly intense reflections | 0.2551 |
Weighted residual factors for all reflections included in the refinement | 0.2831 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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278905 (current) | 2022-11-02 | cif/ Adding structures of 7245749 via cif-deposit CGI script. |
7245749.cif |
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