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Information card for entry 7048209
Preview
Coordinates | 7048209.cif |
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Original paper (by DOI) | HTML |
Formula | C76.82 H66 Ag4 F12 N16 O23.25 S4 |
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Calculated formula | C76.815 H66 Ag4 F12 N16 O23.25 S4 |
Title of publication | Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand. |
Authors of publication | Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 48 |
Pages of publication | 17266 - 17275 |
a | 12.6763 ± 0.0009 Å |
b | 15.3591 ± 0.0011 Å |
c | 25.2633 ± 0.0018 Å |
α | 104.265 ± 0.001° |
β | 94.103 ± 0.001° |
γ | 90.14 ± 0.001° |
Cell volume | 4753.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1147 |
Residual factor for significantly intense reflections | 0.0784 |
Weighted residual factors for significantly intense reflections | 0.216 |
Weighted residual factors for all reflections included in the refinement | 0.2499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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