Crystallography Open Database

Information card for entry 4133794

Preview

Coordinates	4133794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H130 N3 O53 Y9
Calculated formula	C132 H78 O53 Y9
Title of publication	Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.
Authors of publication	Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	51
Pages of publication	20480 - 20489
a	23.951 ± 0.001 Å
b	23.951 ± 0.001 Å
c	32.354 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	16073.3 ± 1.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2652
Weighted residual factors for all reflections included in the refinement	0.3016
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246550 (current)	2020-01-04	cif/ Updating files of 4133792, 4133793, 4133794, 4133795, 4133796 Original log message: Adding full bibliography for 4133792--4133796.cif.	4133794.cif
245277	2019-12-18	cif/ Adding structures of 4133794 via cif-deposit CGI script.	4133794.cif