Crystallography Open Database

Information card for entry 4350691

Preview

Coordinates	4350691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 F12 Fe N8 P2
Calculated formula	C27 H24 F12 Fe N8 P2
Title of publication	Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.
Authors of publication	Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11573 - 11583
a	8.3093 ± 0.0002 Å
b	21.6677 ± 0.0007 Å
c	16.8372 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3031.43 ± 0.16 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
239987 (current)	2019-11-25	cif/ Adding structures of 4350689, 4350690, 4350691, 4350692 via cif-deposit CGI script.	4350691.cif