Crystallography Open Database

Information card for entry 7127961

Preview

Structure parameters

Formula	C104 H92 Cu4 N12 O20
Calculated formula	C104 H92 Cu4 N12 O20
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	14.7652 ± 0.0008 Å
b	15.0291 ± 0.0008 Å
c	16.2398 ± 0.0007 Å
α	71.439 ± 0.005°
β	73.953 ± 0.004°
γ	71.422 ± 0.005°
Cell volume	3176.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0756
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7127961.html