Crystallography Open Database

Information card for entry 4132543

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Coordinates	4132543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C178 H138 N8 O38 Tb6
Calculated formula	C174 H102 N6 O32 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	39.74 ± 0.001 Å
b	39.74 ± 0.001 Å
c	56.261 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	88851 ± 4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.143
Residual factor for significantly intense reflections	0.1404
Weighted residual factors for significantly intense reflections	0.3705
Weighted residual factors for all reflections included in the refinement	0.3748
Goodness-of-fit parameter for all reflections included in the refinement	2.467
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
242509 (current)	2019-11-26	cif/ Adding structures of 4132543 via cif-deposit CGI script.	4132543.cif