Crystallography Open Database

Information card for entry 7043928

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Coordinates	7043928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H135 I8 N2 O20.5 S6 W6
Calculated formula	C83 H134.997 I8 N2 O20.5 S6 W6
Title of publication	Comparative Study of Optical Properties and X-ray Induced Luminescence of Octahedral Molybdenum and Tungsten Cluster Complexes
Authors of publication	Evtushok, Darya V.; Melnikov, Anatoly; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Ryadun, Alexey A.; Kuratieva, Natalia; Kozyr, Konstantin V.; Obedinskaya, Natalia R.; Kretov, Evgeniy I.; Novozhilov, Igor; Mironov, Yuri V.; Stass, Dmitri; Efremova, Olga A.; Shestopalov, Michael A.
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.4118 ± 0.0015 Å
b	16.21 ± 0.0018 Å
c	27.147 ± 0.003 Å
α	89.271 ± 0.003°
β	79.227 ± 0.003°
γ	77.959 ± 0.003°
Cell volume	5668.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
199631 (current)	2017-08-08	cif/ Adding structures of 7043926, 7043927, 7043928 via cif-deposit CGI script.	7043928.cif