Crystallography Open Database

Information card for entry 4072845

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Coordinates	4072845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.5 H97 Cl Fe2 N4 P4
Calculated formula	C100.5 H97 Cl Fe2 N4 P4
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	21.3913 ± 0.0003 Å
b	12.0035 ± 0.0002 Å
c	33.2222 ± 0.0004 Å
α	90°
β	90.258 ± 0.001°
γ	90°
Cell volume	8530.4 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0726
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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