Crystallography Open Database

Information card for entry 4079272

Preview

Coordinates	4079272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 B2 Cl4 D6 F6 Fe O4 P2
Calculated formula	C42 H34 B2 Cl4 F6 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	11.9085 ± 0.0008 Å
b	12.9178 ± 0.0009 Å
c	15.5436 ± 0.001 Å
α	67.817 ± 0.003°
β	76.915 ± 0.004°
γ	83.142 ± 0.004°
Cell volume	2155.1 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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