Crystallography Open Database

Information card for entry 7716729

Preview

Coordinates	7716729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Br Cu N3 O3
Calculated formula	C15 H18 Br Cu N3 O3
Title of publication	Unravelling the mechanism of apoptosis induced by copper(II) complexes of NN<sub>2</sub>-pincer ligands in lung cancer cells.
Authors of publication	Das, Athulya; Sankaralingam, Muniyandi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	34
Pages of publication	14364 - 14377
a	7.9149 ± 0.0008 Å
b	18.466 ± 0.002 Å
c	11.1514 ± 0.0011 Å
α	90°
β	94.607 ± 0.007°
γ	90°
Cell volume	1624.6 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.2503
Residual factor for significantly intense reflections	0.13
Weighted residual factors for significantly intense reflections	0.3196
Weighted residual factors for all reflections included in the refinement	0.403
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294589 (current)	2024-09-06	cif/ Updating files of 7716729 Original log message: Adding full bibliography for 7716729.cif.	7716729.cif
293544	2024-07-26	cif/ Adding structures of 7716729 via cif-deposit CGI script.	7716729.cif