Crystallography Open Database

Information card for entry 4133792

Preview

Coordinates	4133792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H180 Dy15 N31 Na2 O79
Calculated formula	C132 H80 Dy15 N24 Na2 O73
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	22.6832 ± 0.0009 Å
b	22.6832 ± 0.0009 Å
c	50.192 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	22365.3 ± 1.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1499
Residual factor for significantly intense reflections	0.135
Weighted residual factors for significantly intense reflections	0.427
Weighted residual factors for all reflections included in the refinement	0.4365
Goodness-of-fit parameter for all reflections included in the refinement	1.901
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.	4133792.cif
245275	2019-12-18	cif/ Adding structures of 4133792 via cif-deposit CGI script.	4133792.cif