Crystallography Open Database

Information card for entry 4305661

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Coordinates	4305661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H3 Cl Cu N2 O2
Calculated formula	C5 H3 Cl 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	6.5488 ± 0.0006 Å
b	9.4281 ± 0.0008 Å
c	10.6417 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	657.05 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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