Crystallography Open Database

Information card for entry 7249575

Preview

Coordinates	7249575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H73.97 Co3 N8 O22
Calculated formula	C43.9998 H25.9998 Co3 N3.9999 O13
Title of publication	High-efficiency green catalytic conversion for waste CS2 by non-noble metal cage-based MOFs: an access pathway to high-value thiazolidine-2-thione
Authors of publication	Ding, Wenyu; Tang, Xinyu; Jin, Sheng; Li, Zhao; Xu, Dongwei; Kang, Xiaomin; Liu, Zhiliang
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	1
Pages of publication	218 - 226
a	17.0841 ± 0.0008 Å
b	17.0841 ± 0.0008 Å
c	14.98 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	3786.4 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7249575.html