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Information card for entry 1566994
Preview
Coordinates | 1566994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 B Cu F4 N2 O4 |
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Calculated formula | C17 H13 B Cu F4 N2 O4 |
Title of publication | 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry |
Authors of publication | Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L. |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 14.932 ± 0.003 Å |
b | 31.562 ± 0.005 Å |
c | 14.861 ± 0.003 Å |
α | 90° |
β | 98.45 ± 0.006° |
γ | 90° |
Cell volume | 6928 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.99 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2099 |
Residual factor for significantly intense reflections | 0.1261 |
Weighted residual factors for significantly intense reflections | 0.3637 |
Weighted residual factors for all reflections included in the refinement | 0.4251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.488 |
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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275492 (current) | 2022-05-18 | cif/ Adding structures of 1566993, 1566994 via cif-deposit CGI script. |
1566994.cif |
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