Crystallography Open Database

Information card for entry 4134035

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Coordinates	4134035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H91 N12 O59 P14 Y3
Calculated formula	C50 H71 N12 O59 P14 Y3
Title of publication	Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.
Authors of publication	Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	14.9876 ± 0.0011 Å
b	17.6742 ± 0.0012 Å
c	20.2589 ± 0.0014 Å
α	73.084 ± 0.006°
β	69.492 ± 0.007°
γ	65.735 ± 0.007°
Cell volume	4513.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1609
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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