Crystallography Open Database

Information card for entry 2023571

2023570 << 2023571 >> 2023572

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Coordinates	2023571.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoato-κ<i>O</i>]zinc(II) monohydrate
Formula	C32 H28 N4 O8 S2 Zn
Calculated formula	C32 H28 N4 O8 S2 Zn
Title of publication	Crystal structure and Hirshfeld surface analysis of aqua(1,10-phenanthroline-κ2 N,N′)bis[3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoato-κO]zinc(II) monohydrate
Authors of publication	Mamadaliyeva, Zoxida Rasuljon qizi; Sattarov, Tulqinjon Abdusattor ogli; Choriyev, Odil Irgashevich; Qadirov, Jalil Tulqin ogli; Ashurov, Jamshid Mengnorovich
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
a	6.9071 ± 0.0003 Å
b	14.8406 ± 0.0007 Å
c	16.3048 ± 0.0007 Å
α	110.602 ± 0.004°
β	94.604 ± 0.003°
γ	90.039 ± 0.004°
Cell volume	1558.65 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0445
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306896 (current)	2026-09-22	cif/ Adding structures of 2023571 via cif-deposit CGI script.	2023571.cif