Crystallography Open Database

Information card for entry 4071552

Preview

Coordinates	4071552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H4 Fe2 O6 S2
Calculated formula	C8.5 H4 Fe2 O6 S2
Title of publication	Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes
Authors of publication	Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3225
a	11.825 ± 0.01 Å
b	17.627 ± 0.015 Å
c	12.708 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	2649 ± 4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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