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Information card for entry 4000070
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4000070.cif |
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Original paper (by DOI) | HTML |
Common name | bis(guanidinium)(4,4'-biphenyldisulfonate).3/4(1,7-dimethylnaphthalene) |
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Formula | C23 H29 N6 O6 S2 |
Calculated formula | C25.28 H20 N6 O6 S2 |
Title of publication | Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks |
Authors of publication | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. |
Journal of publication | Chemistry of Materials |
Year of publication | 2001 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 3018 |
a | 6.2313 ± 0.0008 Å |
b | 7.1774 ± 0.001 Å |
c | 14.736 ± 0.002 Å |
α | 78.793 ± 0.002° |
β | 89.763 ± 0.002° |
γ | 86.279 ± 0.002° |
Cell volume | 645.11 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0723 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1679 |
Weighted residual factors for all reflections included in the refinement | 0.1762 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
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/4000070.html
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