Crystallography Open Database

Information card for entry 2105717

Preview

Coordinates	2105717.cif
Original IUCr paper	HTML

Structure parameters

Formula	C2 Ca F6 O6 S2
Calculated formula	C2 Ca F5.99994 O5.99994 S2
Title of publication	Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Authors of publication	Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Journal of publication	Acta Crystallographica, Section B: Structural Science
Year of publication	2006
Journal volume	62
Journal issue	3
Pages of publication	467 - 473
a	5.60549 ± 0.00003 Å
b	5.605486 Å
c	31.1417 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	847.422 ± 0.007 Å³
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Goodness-of-fit parameter for all reflections	2.29
Diffraction radiation wavelength	0.69953 Å
Diffraction radiation type	synchrotron
Duplicate of	2100506
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210924 (current)	2018-09-13	cif/2/10/ Updating bibliography in entries 2100506-2100510, 2105717-2105721. Marking entries 2105717-2105721 as duplicates of entries 2100506-2100510.	2105717.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105717.cif
99291	2014-01-30	cif/ Adding structures of 2105717, 2105718, 2105719, 2105720, 2105721 via cif-deposit CGI script.	2105717.cif