Crystallography Open Database

Information card for entry 7135176

Preview

Coordinates	7135176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75.7 H62.42 Mn4 N7 O30.91
Calculated formula	C75.698 H62.404 Mn4 N7 O30.9
Title of publication	Microenvironment Regulation of Active Sites for Efficient Photocatalytic Reduction of Nitrobenzene
Authors of publication	Liu, Jiang; Xu, Sha-Sha; Liang, Jia-Zheng; Yao, Su-Juan; Li, Ning; Shi, Jing-Wen; Lan, Yaqian
Journal of publication	Chemical Communications
Year of publication	2025
a	24.6796 ± 0.0009 Å
b	13.604 ± 0.0005 Å
c	21.497 ± 0.0008 Å
α	90°
β	91.574 ± 0.002°
γ	90°
Cell volume	7214.7 ± 0.5 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7135176.html