Crystallography Open Database

Information card for entry 4134034

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Coordinates	4134034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H91 Gd3 N12 O59 P14
Calculated formula	C50 H71 Gd3 N12 O59 P14
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	15.0885 ± 0.0011 Å
b	17.6798 ± 0.0011 Å
c	20.2814 ± 0.0012 Å
α	73.138 ± 0.005°
β	69.411 ± 0.006°
γ	65.445 ± 0.007°
Cell volume	4540.4 ± 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	0.0724
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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