Crystallography Open Database

Information card for entry 7127966

Preview

Structure parameters

Formula	C106 H84 Cu4 N12 O18
Calculated formula	C106 H84 Cu4 N12 O18
Title of publication	Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.
Authors of publication	Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	23
Pages of publication	2915 - 2918
a	14.682 ± 0.003 Å
b	15.055 ± 0.003 Å
c	16.11 ± 0.003 Å
α	70.99 ± 0.03°
β	74.36 ± 0.03°
γ	71.24 ± 0.03°
Cell volume	3133.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7127966.html