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Information card for entry 7716510
Preview
Coordinates | 7716510.cif |
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Original paper (by DOI) | HTML |
Formula | C82 H54 Cl F12 P Se4 |
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Calculated formula | C76 H48 Cl F12 P Se4 |
Title of publication | Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions. |
Authors of publication | Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 29 |
Pages of publication | 12234 - 12239 |
a | 17.1681 ± 0.0008 Å |
b | 21.145 ± 0.0007 Å |
c | 21.2518 ± 0.001 Å |
α | 90° |
β | 111.64 ± 0.005° |
γ | 90° |
Cell volume | 7171.1 ± 0.6 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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