Crystallography Open Database

Information card for entry 4064360

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Coordinates	4064360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42 Fe N2
Calculated formula	C29 H42 Fe N2
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	16.6389 ± 0.0005 Å
b	8.6518 ± 0.0002 Å
c	19.5164 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2809.51 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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