Crystallography Open Database

Information card for entry 2312517

Preview

Coordinates	2312517.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-4-hydroxybenzoato)bis[(4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)copper(II)] dioxane disolvate
Formula	C56 H52 Cu2 N4 O20
Calculated formula	C56 H52 Cu2 N4 O20
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	17.5993 ± 0.0003 Å
b	16.4583 ± 0.0002 Å
c	19.7389 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5717.46 ± 0.13 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	2312517.cif