Crystallography Open Database

Information card for entry 4132544

Preview

Coordinates	4132544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H120 N8 O38 S6 Tb6
Calculated formula	C130.5 H99.5 N6 O38 S6 Tb6
Title of publication	Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.
Authors of publication	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8858 - 8867
a	46.0411 ± 0.0004 Å
b	46.0411 ± 0.0004 Å
c	46.0411 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	97597.1 ± 1.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
242510 (current)	2019-11-26	cif/ Adding structures of 4132544 via cif-deposit CGI script.	4132544.cif