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Information card for entry 7109809
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Coordinates | 7109809.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | μ-[Hexafluorosilicato/Hexafluorogermanato 0.89:0.11]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.38:0.62, solvate with 3 methanol |
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Formula | C61 H60 Cu2 F12 Ge0.73 N16 O5 Si1.27 |
Calculated formula | C58 H48 Cu2 F12 Ge0.729 N16 O2 Si1.271 |
Title of publication | Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds |
Authors of publication | Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 9018 |
a | 17.2531 ± 0.0003 Å |
b | 17.2531 ± 0.0003 Å |
c | 20.5377 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6113.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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