Crystallography Open Database

Information card for entry 2312515

Preview

Coordinates	2312515.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[8-(dimethylamino)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-aminium] bis(μ-4-hydroxybenzoato)bis(μ-4-oxidobenzoato)bis[aquacopper(II)] dioxane trisolvate monohydrate
Formula	C68 H84 Cu2 N4 O21
Calculated formula	C56 H60 Cu2 N4 O15
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	10.2155 ± 0.0002 Å
b	12.0897 ± 0.0003 Å
c	15.7111 ± 0.0004 Å
α	69.581 ± 0.003°
β	75.988 ± 0.002°
γ	79.651 ± 0.002°
Cell volume	1754.64 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0693
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	2312515.cif