Crystallography Open Database

Information card for entry 4107979

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Coordinates	4107979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 Cl Fe
Calculated formula	C13 H20 Cl Fe
Title of publication	Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions
Authors of publication	Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8773 - 8787
a	6.7149 ± 0.0006 Å
b	11.2061 ± 0.0008 Å
c	8.4971 ± 0.0008 Å
α	90°
β	100.748 ± 0.003°
γ	90°
Cell volume	628.17 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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