Crystallography Open Database

Information card for entry 7103675

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Coordinates	7103675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H151 Cl3 Fe10 O40
Calculated formula	C71 H151 Cl3 Fe10 O40
Title of publication	A phenolysis route to a new type of octanuclear iron(III) wheel: [Fe8(OH)4(OPh)8(O2CBut)12]
Authors of publication	Cañada-Vilalta, Cristina; Pink, Maren; Christou, George
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	11
Pages of publication	1240 - 1241
a	18.94 ± 0.001 Å
b	19.054 ± 0.001 Å
c	19.0964 ± 0.001 Å
α	112.896 ± 0.001°
β	102.991 ± 0.001°
γ	109.123 ± 0.001°
Cell volume	5485.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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