Crystallography Open Database

Information card for entry 7043927

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Coordinates	7043927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H74 Cl2 I8 N8 O18 W6
Calculated formula	C33 H74 Cl2 I8 N8 O18 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	14.4535 ± 0.0006 Å
b	11.3287 ± 0.0004 Å
c	21.6572 ± 0.0007 Å
α	90°
β	95.633 ± 0.001°
γ	90°
Cell volume	3529 ± 0.2 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	0.0399
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7043927.cif