Crystallography Open Database

Information card for entry 7245425

Preview

Coordinates	7245425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 Cl2 N5 O7 Zn2
Calculated formula	C31 H23 Cl2 N5 O7 Zn2
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	18.8851 ± 0.0018 Å
b	20.5134 ± 0.0019 Å
c	31.983 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	12390 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo–Kα
Has coordinates	Yes
Has disorder	Yes
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.	7245425.cif