Crystallography Open Database

Information card for entry 7059970

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Coordinates	7059970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Fe N O2
Calculated formula	C19 H19 Fe N O2
Title of publication	Iodoferrocene as a partner in N-arylation of amides
Authors of publication	Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	37
Pages of publication	15928 - 15941
a	8.9424 ± 0.0005 Å
b	9.3918 ± 0.0006 Å
c	18.8587 ± 0.0012 Å
α	90°
β	94.385 ± 0.002°
γ	90°
Cell volume	1579.22 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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