Crystallography Open Database

Information card for entry 1572774

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Coordinates	1572774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H44 N4 O12 Zn3
Calculated formula	C66 H44 N4 O12 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	16.9 ± 0.5 Å
b	9.5 ± 0.2 Å
c	18.2 ± 0.3 Å
α	90°
β	94.7 ± 0.3°
γ	90°
Cell volume	2912 ± 12 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	0.2839
Residual factor for significantly intense reflections	0.2263
Weighted residual factors for significantly intense reflections	0.5061
Weighted residual factors for all reflections included in the refinement	0.5386
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
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.	1572774.cif