Crystallography Open Database

Information card for entry 1568243

Preview

Coordinates	1568243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Br2 Cu2 N4 O6 Se2
Calculated formula	C44 H46 Br2 Cu2 N4 O6 Se2
Title of publication	Chalcogen bonding in copper(II)-mediated synthesis.
Authors of publication	Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	77 - 95
a	8.2849 ± 0.0005 Å
b	11.2981 ± 0.0009 Å
c	12.3104 ± 0.0009 Å
α	83.249 ± 0.003°
β	81.394 ± 0.003°
γ	81.805 ± 0.003°
Cell volume	1122.23 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
286135 (current)	2023-09-05	cif/ Updating files of 1568240, 1568241, 1568242, 1568243 Original log message: Adding full bibliography for 1568240--1568243.cif.	1568243.cif
280242	2023-01-07	cif/ Adding structures of 1568243 via cif-deposit CGI script.	1568243.cif