Crystallography Open Database

Information card for entry 2022753

2022752 << 2022753 >> 2022754

Preview

Structure parameters

Chemical name	Bis(μ-4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)bis[(4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]
Formula	C36 H64 O14 Zn2
Calculated formula	C36 H64 O14 Zn2
Title of publication	Crystal structure and Hirshfeld surface analysis of bis-(μ-4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)bis-[(4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)ethano-lzinc(II)].
Authors of publication	Shtokvysh, Olherd O.; Dyakonenko, Viktoriya V.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 5
Pages of publication	478 - 481
a	9.1689 ± 0.0005 Å
b	22.8882 ± 0.001 Å
c	11.0743 ± 0.0005 Å
α	90°
β	103.043 ± 0.005°
γ	90°
Cell volume	2264.09 ± 0.19 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
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	0.0902
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
284388 (current)	2023-06-06	cif/ Updating files of 2022753 Original log message: Adding full bibliography for 2022753.cif.	2022753.cif 2022753.hkl
282798	2023-04-22	cif/ hkl/ Adding structures of 2022753 via cif-deposit CGI script.	2022753.cif 2022753.hkl