Crystallography Open Database

Information card for entry 7247272

Preview

Coordinates	7247272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H53 N7 O16 S4 Zn2
Calculated formula	C22 H14 N3 O8 S4 Zn2
Title of publication	Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties
Authors of publication	Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	36
Pages of publication	5174 - 5183
a	27.7261 ± 0.0008 Å
b	27.7261 ± 0.0008 Å
c	28.5384 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	21938.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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