Crystallography Open Database

Information card for entry 7064448

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Coordinates	7064448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H116 I8 Mo6 N32
Calculated formula	C92 H116 I8 Mo6 N32
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	12.4843 ± 0.0002 Å
b	12.7328 ± 0.0002 Å
c	17.9457 ± 0.0004 Å
α	107.197 ± 0.001°
β	91.088 ± 0.001°
γ	100.871 ± 0.001°
Cell volume	2667.71 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7064448.cif