Crystallography Open Database

Information card for entry 7231779

Preview

Coordinates	7231779.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	WUF-19
Formula	C48 H31 O13.5 Zn4
Calculated formula	C48 H31 O13.5 Zn4
Title of publication	High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks
Authors of publication	Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	1
Pages of publication	60
a	24.47 ± 0.02 Å
b	24.029 ± 0.017 Å
c	17.149 ± 0.012 Å
α	90°
β	90.869 ± 0.018°
γ	90°
Cell volume	10082 ± 13 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.237
Residual factor for significantly intense reflections	0.181
Weighted residual factors for significantly intense reflections	0.4599
Weighted residual factors for all reflections included in the refinement	0.4986
Goodness-of-fit parameter for all reflections included in the refinement	2.771
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
223520 (current)	2019-11-07	cif/ Updating files of 7231779 Original log message: Adding full bibliography for 7231779.cif.	7231779.cif
211875	2018-11-10	cif/ Adding structures of 7231779 via cif-deposit CGI script.	7231779.cif