Crystallography Open Database

Information card for entry 4088450

Preview

Coordinates	4088450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Fe N2 O0.5 P4
Calculated formula	C54 H48 Fe N2 O0.5 P4
Title of publication	A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron
Authors of publication	Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1643
a	46.069 ± 0.006 Å
b	10.7732 ± 0.0015 Å
c	17.772 ± 0.002 Å
α	90°
β	98.247 ± 0.002°
γ	90°
Cell volume	8729.2 ± 1.9 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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