Crystallography Open Database

Information card for entry 7050560

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Coordinates	7050560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Cu N4 O6
Calculated formula	C13 H8 Cu N4 O6
Title of publication	Syntheses, crystal structures and magnetic properties of new oxalato-, croconato- and squarato-containing copper(II) complexes
Authors of publication	José Carranza; Conor Brennan; Jorunn Sletten; Brita Vangdal; Paul Rillema; Francesc Lloret; Miguel Julve
Journal of publication	New J. Chem.
Year of publication	2003
Journal volume	27
Journal issue	12
Pages of publication	1775 - 1783
a	6.7113 ± 0.0004 Å
b	9.2977 ± 0.0005 Å
c	11.825 ± 0.0006 Å
α	106.316 ± 0.001°
β	97.995 ± 0.001°
γ	107.84 ± 0.001°
Cell volume	653.32 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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