Crystallography Open Database

Information card for entry 4124627

Preview

Coordinates	4124627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F14 O10 Re4 Xe3
Calculated formula	F14 O10 Re4 Xe3
SMILES	[F]([Re]([F][Re](F)(F)(F)(=O)=O)(F)(F)(=O)=O)[Xe]O[Xe]O[Xe][F][Re]([F][Re](F)(F)(F)(=O)=O)(F)(F)(=O)=O
Title of publication	[XeOXeOXe](2+), the Missing Oxide of Xenon(II); Synthesis, Raman Spectrum, and X-ray Crystal Structure of [XeOXeOXe][μ-F(ReO2F3)2]2.
Authors of publication	Ivanova, Maria V.; Mercier, Hélène P A; Schrobilgen, Gary J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	41
Pages of publication	13398 - 13413
a	7.7142 ± 0.0002 Å
b	8.0991 ± 0.0002 Å
c	10.0494 ± 0.0002 Å
α	88.2797 ± 0.0013°
β	69.1278 ± 0.0012°
γ	62.0249 ± 0.0012°
Cell volume	510.91 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	4124627.cif
170069	2015-11-06	cif/ Updating files of 4124627 Original log message: Adding full bibliography for 4124627.cif.	4124627.cif
160966	2015-10-08	cif/ Adding structures of 4124627 via cif-deposit CGI script.	4124627.cif