Crystallography Open Database

Information card for entry 1577475

Preview

Coordinates	1577475.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{Bis[2-(pyridin-2-yl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dibromidocopper(II)
Formula	C14 H17 Br2 Cu N3
Calculated formula	C14 H17 Br2 Cu N3
Title of publication	{Bis[2-(pyridin-2-yl)eth-yl]amine}-dibromidocopper(II).
Authors of publication	Bess, Zachariah; Oscar, Celisha; Bithi, Ummey Hafsa; Duenas Parapar, Diego; Lowe, William Jacob; Madzig, Fruzsina; Gultneh, Yilma; Butcher, Ray J.
Journal of publication	IUCrData
Year of publication	2026
Journal volume	11
Journal issue	Pt 7
Pages of publication	x260689
a	17.88872 ± 0.00012 Å
b	7.41487 ± 0.00005 Å
c	24.58312 ± 0.00017 Å
α	90°
β	108.405 ± 0.0007°
γ	90°
Cell volume	3093.97 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0345
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
306804 (current)	2026-08-29	cif/ Adding structures of 1577475 via cif-deposit CGI script.	1577475.cif