Crystallography Open Database

Information card for entry 2311849

Preview

Coordinates	2311849.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1,1'-Bis(pyridin-2-yl)-2,2-bi(1<i>H</i>-imidazole)-κ<i>N</i>^3^][3,3'-bis(pyridin-2-yl-κ<i>N</i>)-1,1'-methanediylbi(1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^)](trimethylphosphane-κ<i>P</i>)iron(II) bis(hexafluoridophosphate)
Formula	C36 H35 F12 Fe N12 P3
Calculated formula	C36 H35 F12 Fe N12 P3
Title of publication	Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).
Authors of publication	Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2015
Journal volume	71
Journal issue	Pt 12
Pages of publication	1096 - 1099
a	10.1146 ± 0.0004 Å
b	12.1591 ± 0.0005 Å
c	17.7002 ± 0.0007 Å
α	97.219 ± 0.002°
β	97.02 ± 0.002°
γ	102.06 ± 0.002°
Cell volume	2087.05 ± 0.15 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
246138 (current)	2019-12-26	cif/ Adding structures of 2311849 via cif-deposit CGI script.	2311849.cif