Crystallography Open Database

Information card for entry 4076520

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Coordinates	4076520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H83 Fe N O P2
Calculated formula	C60 H83 Fe N O P2
Title of publication	Redox Chemistry of Bis(phosphaethenyl)pyridine Iron Complexes
Authors of publication	Nakajima, Yumiko; Ozawa, Fumiyuki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	2009
a	16.2808 ± 0.0002 Å
b	17.5874 ± 0.0002 Å
c	22.8589 ± 0.0004 Å
α	96.1553 ± 0.0006°
β	106.015 ± 0.0007°
γ	114.773 ± 0.001°
Cell volume	5523.06 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.098
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	0.652
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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