Crystallography Open Database

Information card for entry 4066476

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Coordinates	4066476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H97 Br3 Fe N4
Calculated formula	C75 H73 Br3 Fe N4
Title of publication	Synthesis of Anionic Iron(II) Complex Bearing an N-Heterocyclic Carbene Ligand and Its Catalysis for Aryl Grignard Cross-Coupling of Alkyl Halides
Authors of publication	Gao, Huan-huan; Yan, Chun-hui; Tao, Xue-Ping; Xia, Ying; Sun, Hong-Mei; Shen, Qi; Zhang, Yong
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4189
a	25.818 ± 0.004 Å
b	17.062 ± 0.002 Å
c	20.125 ± 0.003 Å
α	90°
β	127.016 ± 0.004°
γ	90°
Cell volume	7078.6 ± 1.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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