Crystallography Open Database

Information card for entry 1569180

Preview

Coordinates	1569180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H67 N24 O32 Zn10
Calculated formula	C111.5 H67 N24 O30 Zn10
Title of publication	Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.
Authors of publication	Liu, Jiaqi; Wang, Hao; Li, Jing
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	22
Pages of publication	5912 - 5917
a	18.046 ± 0.0017 Å
b	9.8055 ± 0.001 Å
c	24.994 ± 0.003 Å
α	90°
β	110.269 ± 0.004°
γ	90°
Cell volume	4148.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	6
Hermann-Mauguin space group symbol	P 1 m 1
Hall space group symbol	P -2y
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284897 (current)	2023-07-05	cif/ Updating files of 1569180 Original log message: Adding full bibliography for 1569180.cif.	1569180.cif
283787	2023-05-16	cif/ Adding structures of 1569180 via cif-deposit CGI script.	1569180.cif