Crystallography Open Database

Information card for entry 1574465

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Coordinates	1574465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H52 Dy N5 O11 P2 Se2
Calculated formula	C50 H52 Dy N5 O11 P2 Se2
Title of publication	A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition
Authors of publication	Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	23
Pages of publication	10340 - 10348
a	9.585 ± 0.009 Å
b	25.97 ± 0.02 Å
c	11.34 ± 0.012 Å
α	90°
β	112.62 ± 0.019°
γ	90°
Cell volume	2606 ± 4 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1658
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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