Crystallography Open Database

Information card for entry 4075764

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Coordinates	4075764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Fe2 O6 P S2
Calculated formula	C19 H13 Fe2 O6 P S2
SMILES	[Fe]12([Fe]([P](S1)(c1ccccc1)c1ccccc1)([S]2C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine
Authors of publication	Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	1
Pages of publication	16
a	20.697 ± 0.009 Å
b	9.741 ± 0.004 Å
c	22.862 ± 0.01 Å
α	90°
β	109.674 ± 0.006°
γ	90°
Cell volume	4340 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1642
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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