Crystallography Open Database

Information card for entry 4086648

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Coordinates	4086648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H52 B Fe N4
Calculated formula	C43.5 H52 B Fe N4
Title of publication	A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex
Authors of publication	Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	3069
a	25.9177 ± 0.0008 Å
b	11.9809 ± 0.0004 Å
c	24.7792 ± 0.0008 Å
α	90°
β	98.1421 ± 0.0018°
γ	90°
Cell volume	7616.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0886
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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