Crystallography Open Database

Information card for entry 7121491

Preview

Coordinates	7121491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H4 N O3 Zn
Calculated formula	C7 H4 N O3 Zn1.0005
Title of publication	Efficient separation of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> mixtures in an acid-base resistant metal-organic framework.
Authors of publication	Zhang, Ling; Jiang, Ke; Li, Libo; Xia, Yu-Pei; Hu, Tong-Liang; Yang, Yu; Cui, Yuanjing; Li, Bin; Chen, Banglin; Qian, Guodong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	38
Pages of publication	4846 - 4849
a	12.8863 ± 0.0001 Å
b	12.8863 ± 0.0001 Å
c	13.2102 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2193.64 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
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
228596 (current)	2019-11-17	cif/ Updating files of 7121491 Original log message: Adding full bibliography for 7121491.cif.	7121491.cif
207346	2018-04-16	cif/ Adding structures of 7121491 via cif-deposit CGI script.	7121491.cif