Crystallography Open Database

Information card for entry 1567794

Preview

Coordinates	1567794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H25 Cu N6.75 O7
Calculated formula	C21.5 H25 Cu N6.75 O7
Title of publication	Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.
Authors of publication	Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	43
Pages of publication	12876 - 12882
a	14.2321 ± 0.0001 Å
b	13.2378 ± 0.0001 Å
c	14.6287 ± 0.0002 Å
α	90°
β	93.153 ± 0.001°
γ	90°
Cell volume	2751.9 ± 0.05 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.1134
Weighted residual factors for significantly intense reflections	0.2897
Weighted residual factors for all reflections included in the refinement	0.296
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280167 (current)	2023-01-06	cif/ Updating files of 1567794 Original log message: Adding full bibliography for 1567794.cif.	1567794.cif
278614	2022-10-18	cif/ Adding structures of 1567794 via cif-deposit CGI script.	1567794.cif