Crystallography Open Database

Information card for entry 4060242

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Coordinates	4060242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Fe4 O14 S4
Calculated formula	C18 H12 Fe4 O14 S4
Title of publication	General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles
Authors of publication	Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	4
Pages of publication	823 - 831
a	9.301 ± 0.006 Å
b	11.76 ± 0.008 Å
c	14.532 ± 0.01 Å
α	103.889 ± 0.011°
β	97.842 ± 0.011°
γ	104.773 ± 0.01°
Cell volume	1458.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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