Crystallography Open Database

Information card for entry 7028218

Preview

Coordinates	7028218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 F3 N2 O V
Calculated formula	C7 H7 F3 N2 O V
Title of publication	Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.
Authors of publication	Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	568 - 575
a	24.5014 ± 0.001 Å
b	3.8344 ± 0.0013 Å
c	18.979 ± 0.007 Å
α	90°
β	105.454 ± 0.007°
γ	90°
Cell volume	1718.6 ± 0.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.208
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.276
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028218.cif
105249	2014-03-12	cif/ Adding structures of 7028211, 7028212, 7028213, 7028214, 7028215, 7028216, 7028217, 7028218, 7028219, 7028220, 7028221 via cif-deposit CGI script.	7028218.cif