Crystallography Open Database

Information card for entry 4072844

Preview

Coordinates	4072844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106.25 H111 Cu F6 Fe2 N4 P5
Calculated formula	C106.25 H111 Cu F6 Fe2 N4 P5
Title of publication	New Redox-Active Iron(II) Acetylide Complex Bearing a (2-Pyridyl)aldimine Site. Synthesis and Complexation to Copper(I)
Authors of publication	Ghazala, Safaa Ibn; Gauthier, Nicolas; Paul, Frédéric; Toupet, Loic; Lapinte, Claude
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	9
Pages of publication	2308
a	21.3702 ± 0.0005 Å
b	18.4998 ± 0.0004 Å
c	27.0213 ± 0.0006 Å
α	90°
β	103.391 ± 0.001°
γ	90°
Cell volume	10392.3 ± 0.4 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 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	0.1499
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.2335
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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