Crystallography Open Database

Information card for entry 7230569

Preview

Coordinates	7230569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H53 Br3 Cu N2 O2
Calculated formula	C24 H53 Br3 Cu N2 O2
Title of publication	A new surfactant-copper(ii) complex based on 1,4-diazabicyclo[2.2.2]octane amphiphile. Crystal structure determination, self-assembly and functional activity.
Authors of publication	Zhiltsova, Elena P.; Pashirova, Tatiana N.; Ibatullina, Marina R.; Lukashenko, Svetlana S.; Gubaidullin, Aidar T.; Islamov, Daut R.; Kataeva, Olga N.; Kutyreva, Marianna P.; Zakharova, Lucia Y.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	18
Pages of publication	12688 - 12699
a	7.5437 ± 0.0003 Å
b	44.0092 ± 0.0018 Å
c	9.3422 ± 0.0004 Å
α	90°
β	91.326 ± 0.0016°
γ	90°
Cell volume	3100.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2429
Weighted residual factors for all reflections included in the refinement	0.2542
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation probe	x-ray
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
230937 (current)	2019-11-17	cif/ Updating files of 7230569 Original log message: Adding full bibliography for 7230569.cif.	7230569.cif
207491	2018-04-26	cif/ Adding structures of 7230569 via cif-deposit CGI script.	7230569.cif