Crystallography Open Database

Information card for entry 7135175

Preview

Coordinates	7135175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H63.43 Mn4 N10 O26.71
Calculated formula	C102 H63.428 Mn4 N10 O26.714
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	22.7346 ± 0.0005 Å
b	13.7881 ± 0.0002 Å
c	26.2173 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8218.3 ± 0.3 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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