Crystallography Open Database

Information card for entry 7064447

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Coordinates	7064447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H90 Ag2 F6 O6 P2 S2
Calculated formula	C60 H90 Ag2 F6 O6 P2 S2
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	10.9171 ± 0.0002 Å
b	20.4854 ± 0.0003 Å
c	14.6193 ± 0.0003 Å
α	90°
β	103.637 ± 0.0005°
γ	90°
Cell volume	3177.3 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0461
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7064447.cif