Crystallography Open Database

Information card for entry 1565987

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Structure parameters

Formula	C26 H32 N4 O8 Zn
Calculated formula	C26 H32 N4 O8 Zn
SMILES	[Zn]123(OC(=O)c4cc(cc(c4)c4cc(C(=O)O)cc(c4)C(=O)O[Zn]567[NH]8CCC[NH]7CC[NH]6CCC[NH]5CC8)C(=O)O)([NH]4CCC[NH]3CC[NH]2CCC[NH]1CC4)OC(=O)c1cc(C(=O)O)cc(c1)c1cc(C(=O)O)cc(c1)C(=O)[O-]
Title of publication	Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands
Authors of publication	Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam
Journal of publication	Journal of Molecular Structure
Year of publication	2022
Journal volume	1254
Pages of publication	132317
a	8.4854 ± 0.0004 Å
b	8.9023 ± 0.0004 Å
c	10.1517 ± 0.0005 Å
α	68.874 ± 0.002°
β	65.755 ± 0.002°
γ	77.396 ± 0.002°
Cell volume	650 ± 0.05 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0432
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
272078 (current)	2022-01-16	cif/ hkl/ Adding structures of 1565987 via cif-deposit CGI script.	1565987.cif 1565987.hkl