Crystallography Open Database

Information card for entry 5000338

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Coordinates	5000338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cl4 Fe N4 O4
Calculated formula	C33 H37 Cl3 Fe2 N6 O7
Title of publication	Dinuclear and hexanuclear iron(III) carboxylate clusters with a bis(bipyridine) ligand: supramolecular aggregation of [Fe2O2] units to give a [Fe6O6] ladder structure †
Authors of publication	Seddon, Elisa J.; Yoo, Jae; Folting, Kirsten; Huffman, John C.; Hendrickson, David N.; Christou, George
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	20
Pages of publication	3640
a	14.343 ± 0.009 Å
b	17.631 ± 0.011 Å
c	14.465 ± 0.009 Å
α	90°
β	90.12 ± 0.03°
γ	90°
Cell volume	3658 ± 4 Å³
Cell temperature	104 K
Ambient diffraction temperature	104 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	2.322
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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