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Information card for entry 7716507
Preview
Coordinates | 7716507.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H116 Br0.76 F12 N13 O0.24 P4 Se4 |
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Calculated formula | C80 H116 Br0.766 F12 N13 O0.234 P4 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 | 10.76527 ± 0.00016 Å |
b | 19.8662 ± 0.0002 Å |
c | 21.4344 ± 0.0005 Å |
α | 90.3453 ± 0.0013° |
β | 100.62 ± 0.0016° |
γ | 92.8667 ± 0.0011° |
Cell volume | 4499.37 ± 0.13 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.1652 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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