Crystallography Open Database

Information card for entry 4087922

Preview

Coordinates	4087922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 F12 Fe N9 O P2
Calculated formula	C29 H37 F12 Fe N9 O 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	21.9386 ± 0.0009 Å
b	11.1672 ± 0.0005 Å
c	30.9935 ± 0.0014 Å
α	90°
β	98.106 ± 0.002°
γ	90°
Cell volume	7517.3 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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

Version history

Revision	Date	Message	Files
237127 (current)	2019-11-24	cif/ Adding structures of 4087921, 4087922, 4087923, 4087924, 4087925 via cif-deposit CGI script.	4087922.cif