Crystallography Open Database

Information card for entry 4129763

Preview

Coordinates	4129763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 Cl6 N8 O20 Zn2
Calculated formula	C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2
Title of publication	A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.
Authors of publication	Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	50
Pages of publication	15699 - 15702
a	13.6682 ± 0.0006 Å
b	13.6682 ± 0.0006 Å
c	8.887 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1437.83 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2327
Weighted residual factors for all reflections included in the refinement	0.2469
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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