Crystallography Open Database

Information card for entry 4132542

Preview

Coordinates	4132542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H66 N12 O40 Tb6
Calculated formula	C59.9988 H29.0022 N9.999 O37.9968 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	38.985 ± 0.005 Å
b	38.985 ± 0.005 Å
c	38.985 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	59251 ± 13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.2036
Residual factor for significantly intense reflections	0.1386
Weighted residual factors for significantly intense reflections	0.3723
Weighted residual factors for all reflections included in the refinement	0.4185
Goodness-of-fit parameter for all reflections included in the refinement	1.753
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242508 (current)	2019-11-26	cif/ Adding structures of 4132542 via cif-deposit CGI script.	4132542.cif