Crystallography Open Database

Information card for entry 4311868

Preview

Coordinates	4311868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br2 F17 Sb2
Calculated formula	Br F17 Sb2
Title of publication	X-ray Crystal Structures of [XF6][Sb2F11] (X = Cl, Br, I); 35,37Cl, 79,81Br, and 127I NMR Studies and Electronic Structure Calculations of the XF6+ Cations
Authors of publication	John F. Lehmann; Gary J. Schrobilgen; Karl O. Christe; Andreas Kornath; Reijo J. Suontamo
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6905 - 6921
a	11.93 ± 0.002 Å
b	8.4918 ± 0.0015 Å
c	12.103 ± 0.002 Å
α	90°
β	97.558 ± 0.004°
γ	90°
Cell volume	1215.5 ± 0.4 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	3
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	0.1171
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
179157 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/18.	4311868.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311868.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311868.cif
3370	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311868 via cif-deposit CGI script.	4311868.cif