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Information card for entry 7124617
Preview
Coordinates | 7124617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C343 H281 B16 Co8 F64 N72 O3 P |
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Calculated formula | C343 H281 B13 Co8 F52 N72 O3 P |
Title of publication | Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response. |
Authors of publication | Taylor, Christopher G. P.; Piper, Jerico R.; Ward, Michael D. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 37 |
Pages of publication | 6225 - 6228 |
a | 32.7148 ± 0.001 Å |
b | 29.7919 ± 0.0008 Å |
c | 39.8554 ± 0.0011 Å |
α | 90° |
β | 96.733 ± 0.002° |
γ | 90° |
Cell volume | 38576.6 ± 1.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2367 |
Residual factor for significantly intense reflections | 0.1335 |
Weighted residual factors for significantly intense reflections | 0.377 |
Weighted residual factors for all reflections included in the refinement | 0.432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.284 |
Diffraction radiation wavelength | 0.71073 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/7124617.html
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Users of the data should acknowledge the original authors of the
structural data.