Crystallography Open Database

Information card for entry 7050433

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Coordinates	7050433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Fe2 N4 O13
Calculated formula	C12 H6 Fe2 N4 O13
Title of publication	Oxalate and 2,2'-bipyrimidine as bis-chelating ligands in the honeycomb layered compound {[Fe2(bpym)(ox)2]·5H2O}n
Authors of publication	Armentano, Donatella; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Curély, Jacques; Babb, Amy M.; Lu, Jack Y.
Journal of publication	New Journal of Chemistry
Year of publication	2003
Journal volume	27
Journal issue	1
Pages of publication	161
a	9.674 ± 0.003 Å
b	16.94 ± 0.004 Å
c	6.157 ± 0.001 Å
α	90°
β	101.6 ± 0.02°
γ	90°
Cell volume	988.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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