Crystallography Open Database

Information card for entry 4079269

Preview

Coordinates	4079269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H31 Cl Fe O4 P2
Calculated formula	C40.499 H30.998 Cl0.998 Fe O4 P2
Title of publication	C2-Symmetric Iron(II) Diphosphine‒Dialkoxide Dicarbonyl and Related Complexes
Authors of publication	Lei, Hao; Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6408
a	12.0753 ± 0.0008 Å
b	15.6227 ± 0.001 Å
c	19.1582 ± 0.0012 Å
α	69.1874 ± 0.0041°
β	85.5499 ± 0.0041°
γ	87.088 ± 0.004°
Cell volume	3367.1 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.0864
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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