Crystallography Open Database

Information card for entry 4078557

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Coordinates	4078557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 F2 Fe2 N6
Calculated formula	C46 H74 F2 Fe2 N6
Title of publication	Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity
Authors of publication	Zhang, Qiang; Xiang, Li; Deng, Liang
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4537
a	17.8374 ± 0.0015 Å
b	20.5763 ± 0.0017 Å
c	25.961 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9528.4 ± 1.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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