Crystallography Open Database

Information card for entry 4305660

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Coordinates	4305660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H3 Br Cu N2 O2
Calculated formula	C5 H3 Br Cu N2 O2
Title of publication	Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes
Authors of publication	José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8143 - 8158
a	5.2929 ± 0.0008 Å
b	6.7384 ± 0.001 Å
c	9.8478 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	351.23 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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