Crystallography Open Database

Information card for entry 4133793

Preview

Coordinates	4133793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H133 N3 O53 Y9
Calculated formula	C135 H81 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	43.475 ± 0.002 Å
b	43.475 ± 0.002 Å
c	43.475 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	82171 ± 7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.1018
Weighted residual factors for significantly intense reflections	0.3707
Weighted residual factors for all reflections included in the refinement	0.3865
Goodness-of-fit parameter for all reflections included in the refinement	1.944
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.	4133793.cif
245276	2019-12-18	cif/ Adding structures of 4133793 via cif-deposit CGI script.	4133793.cif