Crystallography Open Database

Information card for entry 2023044

2023043 << 2023044 >> 2023045

Preview

Coordinates	2023044.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]
Formula	C56 H80 Cu2 O14 S2
Calculated formula	C56 H80 Cu2 O14 S2
Title of publication	Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)].
Authors of publication	Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 3
Pages of publication	335 - 338
a	10.299 ± 0.0017 Å
b	11.734 ± 0.002 Å
c	12.846 ± 0.002 Å
α	87.275 ± 0.003°
β	88.918 ± 0.003°
γ	72.096 ± 0.002°
Cell volume	1475.6 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0719
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291109 (current)	2024-04-06	cif/ Updating files of 2023044 Original log message: Adding full bibliography for 2023044.cif.	2023044.cif
289980	2024-02-28	cif/ Adding structures of 2023044 via cif-deposit CGI script.	2023044.cif