Crystallography Open Database

Information card for entry 4087923

Preview

Coordinates	4087923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 F12 Fe N8 P2
Calculated formula	C24 H26 F12 Fe N8 P2
Title of publication	NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes
Authors of publication	Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5155
a	20.2864 ± 0.0003 Å
b	12.2796 ± 0.0002 Å
c	26.5473 ± 0.0005 Å
α	90°
β	108.213 ± 0.001°
γ	90°
Cell volume	6281.86 ± 0.19 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0509
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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