Crystallography Open Database

Information card for entry 2312509

Preview

Coordinates	2312509.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-4-hydroxybenzoato)bis[(dioxane)copper(II)] dioxane tetrasolvate
Formula	C52 H68 Cu2 O24
Calculated formula	C52 H68 Cu2 O24
Title of publication	Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Authors of publication	Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	6
a	27.7701 ± 0.0008 Å
b	21.2278 ± 0.0004 Å
c	9.3888 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5534.7 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
292001 (current)	2024-05-23	cif/ Adding structures of 2312509, 2312510, 2312511, 2312512, 2312513, 2312514, 2312515, 2312516, 2312517, 2312518, 2312519, 2312520 via cif-deposit CGI script.	2312509.cif