Crystallography Open Database

Information card for entry 7064445

Preview

Coordinates	7064445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Ag F3 N O3 P S
Calculated formula	C32 H48 Ag F3 N O3 P S
Title of publication	A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}
Authors of publication	Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	9.0695 ± 0.0011 Å
b	22.929 ± 0.002 Å
c	16.512 ± 0.0017 Å
α	90°
β	100.459 ± 0.004°
γ	90°
Cell volume	3376.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
306571 (current)	2026-06-16	cif/ Adding structures of 7064445, 7064446, 7064447, 7064448, 7064449 via cif-deposit CGI script.	7064445.cif