Crystallography Open Database

Information card for entry 5000330

Preview

Coordinates	5000330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H35.5 Cl2 Fe2 N6.5 O5
Calculated formula	C41.5 H34 Cl2 Fe2 N6 O5
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	11.459 ± 0.006 Å
b	16.457 ± 0.008 Å
c	11.376 ± 0.006 Å
α	92.36 ± 0.03°
β	105.11 ± 0.03°
γ	74.4 ± 0.03°
Cell volume	1993.9 ± 1.8 Å³
Cell temperature	108 K
Ambient diffraction temperature	108 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	0.0448
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.0395
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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