Crystallography Open Database

Information card for entry 4117428

Preview

Coordinates	4117428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Fe I2 N6 O0.5
Calculated formula	C38 H32 Fe I2 N6 O0.5
Title of publication	Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings
Authors of publication	Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	2653 - 2671
a	25.21 ± 0.02 Å
b	13.12 ± 0.001 Å
c	11.85 ± 0.01 Å
α	90°
β	95.22 ± 0.02°
γ	90°
Cell volume	3903 ± 5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
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	0.0702
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for all reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections	1.904
Goodness-of-fit parameter for all reflections included in the refinement	1.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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