Crystallography Open Database

Information card for entry 2214269

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Structure parameters

Chemical name	[μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato- κ^4^S:S']bis[tricarbonyliron(I)]
Formula	C23 H15 Fe2 N O6 S2
Calculated formula	C23 H15 Fe2 N O6 S2
SMILES	[Fe]12([Fe]3([S]1CN(C[S]23)Cc1c2ccccc2cc2ccccc12)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	[μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato-κ^4^<i>S</i>:<i>S</i>']bis[tricarbonyliron(I)]
Authors of publication	Shang Gao; Xiao-Jun Peng
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1997 - m1997
a	15.234 ± 0.006 Å
b	11.945 ± 0.004 Å
c	25.84 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4702 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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