Crystallography Open Database

Information card for entry 2203494

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Structure parameters

Chemical name	Hexacarbonyl[μ~2~-η^3^-N-(3-thienylmethylidene)-4- (trimethylsilyl)aniline]diiron
Formula	C20 H17 Fe2 N O6 S Si
Calculated formula	C20 H17 Fe2 N O6 S Si
SMILES	[Fe]123([Fe]4([C]51SC=C[C]=52C[N]34c1ccc(cc1)[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Hexacarbonyl[μ~2~-η^3^-<i>N</i>-(3-thienylmethylidene)-4-(trimethylsilyl)aniline]diiron
Authors of publication	Imhof, Wolfgang; Berger, Daniel
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	m384 - m386
a	25.4591 ± 0.0011 Å
b	14.1058 ± 0.0007 Å
c	13.2386 ± 0.0006 Å
α	90°
β	99.223 ± 0.003°
γ	90°
Cell volume	4692.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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