Crystallography Open Database

Information card for entry 7242901

Preview

Coordinates	7242901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H54 Na4 O48.95 Ru2 W8
Calculated formula	C12 H12 Na4 O48.95 Ru2 W8
Title of publication	Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion
Authors of publication	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	23
Pages of publication	4125 - 4135
a	20.5086 ± 0.0008 Å
b	17.1615 ± 0.0007 Å
c	17.3902 ± 0.0008 Å
α	90°
β	93.08 ± 0.004°
γ	90°
Cell volume	6111.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267129 (current)	2021-07-05	cif/ Updating files of 7242899, 7242900, 7242901, 7242902, 7242903 Original log message: Adding full bibliography for 7242899--7242903.cif.	7242901.cif
265473	2021-05-25	cif/ Adding structures of 7242899, 7242900, 7242901, 7242902, 7242903 via cif-deposit CGI script.	7242901.cif