Crystallography Open Database

Information card for entry 4133288

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Coordinates	4133288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 B2 F8 Fe N2 S
Calculated formula	C20 H21 B2 F8 Fe N2 S
Title of publication	A Redox-Switchable, Allosteric Coordination Complex.
Authors of publication	Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	44
Pages of publication	14590 - 14594
a	11.8881 ± 0.0004 Å
b	9.8041 ± 0.0004 Å
c	18.9098 ± 0.0008 Å
α	90°
β	94.289 ± 0.002°
γ	90°
Cell volume	2197.81 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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