Crystallography Open Database

Information card for entry 7134621

Preview

Coordinates	7134621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 Cl4 N4
Calculated formula	C48 H30 N4
Title of publication	A V-shaped small molecule-based crystalline nonporous supramolecular organic framework for capturing benzene-based contaminants
Authors of publication	Chen, Jin-Fa; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	54
Pages of publication	9912 - 9915
a	29.934 ± 0.0008 Å
b	15.0767 ± 0.0005 Å
c	8.7946 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3969.06 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2293
Weighted residual factors for all reflections included in the refinement	0.2368
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7134621.html