Crystallography Open Database

Information card for entry 4076056

Preview

Coordinates	4076056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H184 F24 Fe4 P12
Calculated formula	C180 H184 F24 Fe4 P12
Title of publication	Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations
Authors of publication	Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	22
Pages of publication	5464 - 5478
a	27.4521 ± 0.0006 Å
b	13.0301 ± 0.0003 Å
c	23.5369 ± 0.0004 Å
α	90°
β	91.237 ± 0.001°
γ	90°
Cell volume	8417.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.154
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4076056.html