Crystallography Open Database

Information card for entry 4132545

Preview

Coordinates	4132545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 F6 N6 O34 Tb6
Calculated formula	C23.9976 H8.9994 N5.9994 O33.9972 Tb5.9994
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	38.309 ± 0.004 Å
b	38.309 ± 0.004 Å
c	38.309 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	56222 ± 10 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	0.1212
Residual factor for significantly intense reflections	0.11
Weighted residual factors for significantly intense reflections	0.3956
Weighted residual factors for all reflections included in the refinement	0.4314
Goodness-of-fit parameter for all reflections included in the refinement	2.32
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
242511 (current)	2019-11-26	cif/ Adding structures of 4132545 via cif-deposit CGI script.	4132545.cif