Crystallography Open Database

Information card for entry 4071292

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Coordinates	4071292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H34 Fe O6 P4
Calculated formula	C14 H34.0016 Fe O6 P4
Title of publication	Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2
Authors of publication	Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2092
a	16.5175 ± 0.0003 Å
b	16.1088 ± 0.0003 Å
c	16.6269 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4424.04 ± 0.14 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for all reflections	0.1174
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.0039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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