Crystallography Open Database

Information card for entry 1572773

Preview

Coordinates	1572773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H72 N8 O16 Zn3
Calculated formula	C78 H72 N8 O16 Zn3
Title of publication	Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.
Authors of publication	Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	37
Pages of publication	15198 - 15204
a	23.3813 ± 0.0011 Å
b	8.8522 ± 0.0004 Å
c	18.8122 ± 0.0009 Å
α	90°
β	111.915 ± 0.005°
γ	90°
Cell volume	3612.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1936
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295041 (current)	2024-10-04	cif/ Adding structures of 1572773, 1572774 via cif-deposit CGI script.	1572773.cif