Crystallography Open Database

Information card for entry 7010117

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Coordinates	7010117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H59 Cl Fe6 N4 O29
Calculated formula	C42.714 H50.5 Cl Fe6 N4 O27.422
Title of publication	A new core topology in hexanuclear iron(III) carboxylate chemistry: [Fe6O3(O2CMe)9(OEt)2(bpy)2](ClO4) †
Authors of publication	Seddon, Elisa J.; Huffman, John C.; Christou, George
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	23
Pages of publication	4446
a	11.5235 ± 0.0012 Å
b	15.8652 ± 0.0016 Å
c	17.0294 ± 0.0019 Å
α	65.921 ± 0.006°
β	81.485 ± 0.005°
γ	76.398 ± 0.005°
Cell volume	2758 ± 0.5 Å³
Cell temperature	107 K
Ambient diffraction temperature	107 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 significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.5993
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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