Crystallography Open Database

Information card for entry 4087434

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Coordinates	4087434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 F6 Fe2 P S3
Calculated formula	C24 H38 F6 Fe2 P S3
Title of publication	Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes
Authors of publication	Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1661
a	18.018 ± 0.009 Å
b	20.18 ± 0.01 Å
c	15.868 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5770 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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