Crystallography Open Database

Information card for entry 4075349

Preview

Coordinates	4075349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Fe2 O6 S2 Se2
Calculated formula	C24 H20 Fe2 O6 S2 Se2
Title of publication	Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands
Authors of publication	Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3468
a	10.707 ± 0.007 Å
b	11.391 ± 0.007 Å
c	13.432 ± 0.009 Å
α	96.136 ± 0.012°
β	97.556 ± 0.01°
γ	115.678 ± 0.01°
Cell volume	1438.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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