Crystallography Open Database

Information card for entry 1576107

Preview

Coordinates	1576107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 Cu F6 N3 O P3
Calculated formula	C52 H43 Cu F6 N3 O P3
Title of publication	Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.
Authors of publication	Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	47
Pages of publication	22376 - 22386
a	10.90096 ± 0.00012 Å
b	12.11864 ± 0.00013 Å
c	18.7704 ± 0.0002 Å
α	105.703 ± 0.0009°
β	95.5373 ± 0.0009°
γ	105.463 ± 0.001°
Cell volume	2262.38 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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
304079 (current)	2025-12-07	cif/ Updating files of 1576102, 1576103, 1576104, 1576105, 1576106, 1576107, 1576108, 1576109, 1576110 Original log message: Adding full bibliography for 1576102--1576110.cif.	1576107.cif
303080	2025-10-29	cif/ Adding structures of 1576102, 1576103, 1576104, 1576105, 1576106, 1576107, 1576108, 1576109, 1576110 via cif-deposit CGI script.	1576107.cif