Crystallography Open Database

Information card for entry 4333651

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Coordinates	4333651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H34 Ba Cu N2 O16
Calculated formula	C13 H34 Ba Cu N2 O16
Title of publication	Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands
Authors of publication	Zoran D. Matović; Vesna D. Miletić; Marina Ćendić; Auke Meetsma; Petra J. van Koningsbruggen; Robert J. Deeth
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1238 - 1247
a	9.0778 ± 0.0004 Å
b	11.8362 ± 0.0005 Å
c	11.9806 ± 0.0005 Å
α	101.056 ± 0.001°
β	108.737 ± 0.001°
γ	95.195 ± 0.001°
Cell volume	1180.29 ± 0.09 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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 all reflections	0.0231
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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