Crystallography Open Database

Information card for entry 8106243

Preview

Coordinates	8106243.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(9-aminoacidi-10-ium) tetrachlorocuprate(II) monohydrate
Formula	C26 H24 Cl4 Cu N4 O
Calculated formula	C26 H24 Cl4 Cu N4 O
SMILES	[Cu](Cl)(Cl)([Cl-])[Cl-].O.c1cccc2[nH+]c3ccccc3c(c12)N.c1cccc2[nH+]c3ccccc3c(c12)N
Title of publication	Crystal structure of bis(9-aminoacridin-10-ium) tetrachloridocuprate(II) monohydrate, C26H24Cl4CuN4O
Authors of publication	Sikorski, Artur
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	641 - 642
a	9.967 ± 0.001 Å
b	11.853 ± 0.001 Å
c	13.37 ± 0.002 Å
α	101.981 ± 0.008°
β	106.586 ± 0.008°
γ	113.856 ± 0.009°
Cell volume	1287 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279542 (current)	2022-11-24	cif/ Adding structures of 8106243 via cif-deposit CGI script.	8106243.cif