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Information card for entry 4124178
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Coordinates | 4124178.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H52 Br12 Hf6 O32 |
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Calculated formula | C96 H48 Br12 Hf6 O32 |
Title of publication | Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination. |
Authors of publication | Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 30 |
Pages of publication | 9527 - 9530 |
a | 29.825 ± 0.002 Å |
b | 29.825 ± 0.002 Å |
c | 29.825 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 26530 ± 3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4124178.html
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Users of the data should acknowledge the original authors of the
structural data.