Crystallography Open Database

Information card for entry 4134036

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Coordinates	4134036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H70 N12 O35 P8
Calculated formula	C44 H56 N12 O35 P8
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	22.7019 ± 0.0015 Å
b	23.2501 ± 0.0016 Å
c	13.5359 ± 0.0008 Å
α	90°
β	118.419 ± 0.005°
γ	90°
Cell volume	6283.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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