Crystallography Open Database

Information card for entry 4342218

Preview

Coordinates	4342218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 F5 N2 O V
Calculated formula	C10 H10 F5 N2 O V
SMILES	[V](F)(F)(F)(F)(F)=O.c1[nH+]ccc(c1)c1cc[nH+]cc1
Title of publication	On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
Authors of publication	Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1712 - 1719
a	6.9059 ± 0.0005 Å
b	23.546 ± 0.0018 Å
c	6.9082 ± 0.0005 Å
α	90°
β	93.806 ± 0.005°
γ	90°
Cell volume	1120.84 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4342218.cif
132802	2015-03-04	cif/ Updating files of 4342215, 4342216, 4342217, 4342218, 4342219 Original log message: Adding full bibliography for 4342215--4342219.cif.	4342218.cif
130422	2015-02-04	cif/ Adding structures of 4342218 via cif-deposit CGI script.	4342218.cif