Crystallography Open Database

Information card for entry 7118627

Preview

Coordinates	7118627.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	UTSA-68
Formula	C40 H26 Cu2 O10
Calculated formula	C40 H26 Cu2 O10
Title of publication	Control of interpenetration in a microporous metal-organic framework for significantly enhanced C2H2/CO2 separation at room temperature.
Authors of publication	Chang, Ganggang; Li, Bin; Wang, Hailong; Hu, Tongliang; Bao, Zongbi; Chen, Banglin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	17
Pages of publication	3494 - 3496
a	13.113 ± 0.006 Å
b	29.058 ± 0.014 Å
c	30.167 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	11495 ± 9 Å³
Cell temperature	100 ± 16 K
Ambient diffraction temperature	100 ± 16 K
Number of distinct elements	4
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	0.64
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
177706 (current)	2016-03-05	cif/ Updating files of 7118627 Original log message: Adding full bibliography for 7118627.cif.	7118627.cif
175125	2016-01-27	cif/ Adding structures of 7118627 via cif-deposit CGI script.	7118627.cif