Crystallography Open Database

Information card for entry 4079270

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Coordinates	4079270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Fe O3 P2
Calculated formula	C39 H30 Fe O3 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	13.145 ± 0.0008 Å
b	12.2586 ± 0.0008 Å
c	20.1642 ± 0.0013 Å
α	90°
β	100.996 ± 0.005°
γ	90°
Cell volume	3189.6 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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