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Information card for entry 1568306
Preview
Coordinates | 1568306.cif |
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Original paper (by DOI) | HTML |
Formula | C160 H124 B4 F16 N12 Pd2 |
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Calculated formula | C160 H124 B4.01 F16.04 N12 Pd2 |
Title of publication | Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism. |
Authors of publication | Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 6 |
Pages of publication | 1524 - 1531 |
a | 30.0828 ± 0.0008 Å |
b | 30.0828 ± 0.0008 Å |
c | 29.4215 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 26625.7 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 106 |
Hermann-Mauguin space group symbol | P 42 b c |
Hall space group symbol | P 4c -2ab |
Residual factor for all reflections | 0.0948 |
Residual factor for significantly intense reflections | 0.0875 |
Weighted residual factors for significantly intense reflections | 0.2597 |
Weighted residual factors for all reflections included in the refinement | 0.2674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281377 (current) | 2023-03-04 | cif/ Updating files of 1568301, 1568302, 1568303, 1568304, 1568305, 1568306, 1568307 Original log message: Adding full bibliography for 1568301--1568307.cif. |
1568306.cif |
280444 | 2023-01-20 | cif/ Adding structures of 1568301, 1568302, 1568303, 1568304, 1568305, 1568306, 1568307 via cif-deposit CGI script. |
1568306.cif |
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Users of the data should acknowledge the original authors of the
structural data.