Crystallography Open Database

Information card for entry 7243959

Preview

Coordinates	7243959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N4 O10 Zn
Calculated formula	C24 H16 N4 O10 Zn
SMILES	[Zn]123(OC(=O)c4n(=[O]1)cc(cc4)C(=O)O)(OC(=O)c1n(=[O]2)cc(cc1)C(=O)O)[n]1ccccc1c1[n]3cccc1
Title of publication	Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration
Authors of publication	Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	59
Pages of publication	37403 - 37412
a	13.7121 ± 0.0019 Å
b	17.737 ± 0.003 Å
c	9.5694 ± 0.0013 Å
α	90°
β	93.303 ± 0.002°
γ	90°
Cell volume	2323.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
270821 (current)	2021-11-23	cif/ Adding structures of 7243958, 7243959, 7243960 via cif-deposit CGI script.	7243959.cif