Crystallography Open Database

Information card for entry 4087145

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Coordinates	4087145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Fe N
Calculated formula	C40 H56 Fe N
Title of publication	A Monometallic Iron(I) Organoferrate
Authors of publication	Zhurkin, Fedor E.; Wodrich, Matthew D.; Hu, Xile
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	499
a	9.6978 ± 0.0004 Å
b	9.9274 ± 0.0004 Å
c	37.8896 ± 0.0012 Å
α	92.847 ± 0.003°
β	93.249 ± 0.004°
γ	104.647 ± 0.004°
Cell volume	3515.8 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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