Crystallography Open Database

Information card for entry 4350672

Preview

Coordinates	4350672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 F12 Fe N9 O2 P2
Calculated formula	C25 H27 F12.002 Fe N9 O2 P2
Title of publication	Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).
Authors of publication	Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	18
Pages of publication	9598 - 9606
a	20.6829 ± 0.0003 Å
b	20.6829 ± 0.0003 Å
c	27.1011 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	10040.2 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
239982 (current)	2019-11-25	cif/ Adding structures of 4350671, 4350672, 4350673, 4350674 via cif-deposit CGI script.	4350672.cif