Crystallography Open Database

Information card for entry 7217701

Preview

Coordinates	7217701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H27 Cu6 O36
Calculated formula	C69 H27 Cu6 O36
Title of publication	A new microporous metal-organic framework with open metal sites and exposed carboxylic acid groups for selective separation of CO2/CH4 and C2H2/CH4
Authors of publication	Duan, Xing; Song, Ruijing; Yu, Jiancan; Wang, Hailong; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong
Journal of publication	RSC Advances
Year of publication	2014
a	24.8319 ± 0.0017 Å
b	33.532 ± 0.0017 Å
c	18.7099 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	15579 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1459
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217701.cif
121906	2014-08-13	cif/ Adding structures of 7217701 via cif-deposit CGI script.	7217701.cif