Crystallography Open Database

Information card for entry 4075765

Preview

Coordinates	4075765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H15 Fe4 O11 P S3
Calculated formula	C29 H15 Fe4 O11 P S3
SMILES	[Fe]12([Fe]3([P]([S]4[Fe]5([Fe]4(S235)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)([S]1c1ccccc1)(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	9.408 ± 0.004 Å
b	10.438 ± 0.004 Å
c	19.084 ± 0.008 Å
α	91.396 ± 0.007°
β	103.41 ± 0.007°
γ	106.192 ± 0.006°
Cell volume	1742.7 ± 1.2 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	0.0815
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178646 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/57.	4075765.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075765.cif
50657	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075765 via cif-deposit CGI script.	4075765.cif