Crystallography Open Database

Information card for entry 7047306

Preview

Coordinates	7047306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H118 N4 O33 Zn8
Calculated formula	C126 H84 O26.9999 Zn8
Title of publication	Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization.
Authors of publication	Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	13158 - 13163
a	21.613 ± 0.003 Å
b	21.613 ± 0.003 Å
c	78.182 ± 0.016 Å
α	90°
β	90°
γ	120°
Cell volume	31628 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229294 (current)	2019-11-17	cif/ Updating files of 7047306 Original log message: Adding full bibliography for 7047306.cif.	7047306.cif
210008	2018-08-21	cif/ Adding structures of 7047306 via cif-deposit CGI script.	7047306.cif