Crystallography Open Database

Information card for entry 7710343

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Coordinates	7710343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C241 H250 Ce24 N26 O124 S30
Calculated formula	C170 H110 Ce24 N4 O96 S30
Title of publication	Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides
Authors of publication	Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin
Journal of publication	Dalton Transactions
Year of publication	2022
a	40.8409 ± 0.0018 Å
b	40.8409 ± 0.0018 Å
c	51.871 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	74928 ± 7 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2542
Weighted residual factors for all reflections included in the refinement	0.2705
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.67011 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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