Crystallography Open Database

Information card for entry 7245426

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Coordinates	7245426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Cu N2 O7
Calculated formula	C9 H9 Cu N2 O7
Title of publication	On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
Authors of publication	Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2022
a	8.1997 ± 0.0008 Å
b	8.2594 ± 0.0008 Å
c	9.3849 ± 0.0009 Å
α	83.57 ± 0.001°
β	74.962 ± 0.001°
γ	64.832 ± 0.001°
Cell volume	555.55 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0277
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277606 (current)	2022-09-03	cif/ Adding structures of 7245425, 7245426, 7245427 via cif-deposit CGI script.	7245426.cif