Crystallography Open Database

Information card for entry 4064358

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Coordinates	4064358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Fe N4
Calculated formula	C20 H38 Fe N4
SMILES	[Fe](=C1N(C(=C(N1CC)C)C)CC)(=C1N(C(=C(N1CC)C)C)CC)(C)C
Title of publication	Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation
Authors of publication	Xiang, Li; Xiao, Jie; Deng, Liang
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	7
Pages of publication	2018
a	15.3456 ± 0.0013 Å
b	9.3394 ± 0.0008 Å
c	16.8196 ± 0.0014 Å
α	90°
β	108.805 ± 0.001°
γ	90°
Cell volume	2281.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.197
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	No

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