Crystallography Open Database

Information card for entry 7064449

Preview

Coordinates	7064449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C235 H357 Ag6 F12 I8 Mo6 N18 O22.5 P6 S4
Calculated formula	C214 H294 Ag6 F12 I8 Mo6 N18 O12 P6 S4
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	17.8066 ± 0.001 Å
b	19.1013 ± 0.001 Å
c	22.6846 ± 0.0013 Å
α	111.715 ± 0.004°
β	100.983 ± 0.004°
γ	98.71 ± 0.004°
Cell volume	6825.4 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7064449.cif