Crystallography Open Database

Information card for entry 4135432

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Coordinates	4135432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H120 B3 F12 N12 O16 Pd2
Calculated formula	C124 H120 B3 F12 N12 O16 Pd2
Title of publication	TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.
Authors of publication	Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	19.4785 ± 0.0015 Å
b	19.5995 ± 0.0007 Å
c	20.0531 ± 0.0019 Å
α	92.012 ± 0.005°
β	115.044 ± 0.008°
γ	91.519 ± 0.005°
Cell volume	6924.4 ± 1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2495
Residual factor for significantly intense reflections	0.1898
Weighted residual factors for significantly intense reflections	0.4383
Weighted residual factors for all reflections included in the refinement	0.4764
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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