Crystallography Open Database

Information card for entry 1507979

Preview

Coordinates	1507979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H22 F18 N3 O6 V7
Calculated formula	C6 H34 F18 N4 O6 V7
Title of publication	An ionothermally prepared S = 1/2 vanadium oxyfluoride kagome lattice.
Authors of publication	Aidoudi, Farida H.; Aldous, David W.; Goff, Richard J.; Slawin, Alexandra M. Z.; Attfield, J. Paul; Morris, Russell E.; Lightfoot, Philip
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	10
Pages of publication	801 - 806
a	7.354 ± 0.004 Å
b	7.354 ± 0.004 Å
c	43.22 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	2024.2 ± 1.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507979.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507979.cif
62525	2012-07-09	cif/ Adding structures of 1507979 via cif-deposit CGI script.	1507979.cif