Crystallography Open Database

Information card for entry 1566751

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Coordinates	1566751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H116 F21 N12 O21 Rh4 S7
Calculated formula	C118 H116 F6 N12 O6 Rh4 S2
Title of publication	Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies
Authors of publication	Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin
Journal of publication	Chemical Science
Year of publication	2022
a	24.6083 ± 0.0008 Å
b	12.7106 ± 0.0005 Å
c	23.5913 ± 0.0008 Å
α	90°
β	114.206 ± 0.004°
γ	90°
Cell volume	6730.2 ± 0.5 Å³
Cell temperature	249.99 ± 0.1 K
Ambient diffraction temperature	249.99 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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