Crystallography Open Database

Information card for entry 7243960

Preview

Coordinates	7243960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cl N3 O7 Zn
Calculated formula	C17 H16 Cl N3 O7 Zn
SMILES	[Zn]12(Cl)(OC(=O)c3n(=[O]1)cc(cc3)C(=O)O)[n]1ccccc1c1[n]2cccc1.O.O
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	8.5124 ± 0.0009 Å
b	9.503 ± 0.001 Å
c	12.0869 ± 0.0013 Å
α	75.923 ± 0.002°
β	84.467 ± 0.002°
γ	80.995 ± 0.002°
Cell volume	934.96 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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.	7243960.cif