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Information card for entry 4119648
Preview
Coordinates | 4119648.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 PF6_ 2 H2PO4_ 9.5 H2O |
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Formula | C38 H48 F12 N10 O17.5 P4 |
Calculated formula | C38 H38 F12 N10 O17.5 P4 |
Title of publication | "Texas-Sized" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly |
Authors of publication | Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 6330 - 6337 |
a | 12.125 ± 0.002 Å |
b | 16.355 ± 0.003 Å |
c | 27.163 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5386.5 ± 1.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.126 |
Residual factor for significantly intense reflections | 0.0959 |
Weighted residual factors for significantly intense reflections | 0.2042 |
Weighted residual factors for all reflections included in the refinement | 0.2243 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4119648.html
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