Crystallography Open Database

Information card for entry 4305662

Preview

Coordinates	4305662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H3 Cu N3 O5.33 S
Calculated formula	C6 H3 Cu N3 O5.33333 S
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	21.5359 ± 0.001 Å
b	21.5359 ± 0.001 Å
c	13.2232 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	5311.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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