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Information card for entry 4110212
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Coordinates | 4110212.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | guanidinium 3-fluorobenzenesulfonate |
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Formula | C7 H10 F N3 O3 S |
Calculated formula | C7 H10 F N3 O3 S |
SMILES | S(=O)(=O)(c1cc(F)ccc1)[O-].NC(=[NH2+])N |
Title of publication | Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders |
Authors of publication | Matthew J. Horner; K. Travis Holman; Michael D. Ward |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 14640 - 14660 |
a | 7.169 ± 0.005 Å |
b | 7.304 ± 0.005 Å |
c | 11.532 ± 0.005 Å |
α | 72.377 ± 0.005° |
β | 85.075 ± 0.005° |
γ | 62.944 ± 0.005° |
Cell volume | 511.6 ± 0.5 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 | 0.0361 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4110212.html
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Users of the data should acknowledge the original authors of the
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