Crystallography Open Database

Information card for entry 4337526

Preview

Coordinates	4337526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 F4 N Nb O
Calculated formula	C4.98 H6 F4 N1.02 Nb O
Title of publication	From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.
Authors of publication	Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	537 - 542
a	3.9511 ± 0.0004 Å
b	14.0715 ± 0.0017 Å
c	7.089 ± 0.0009 Å
α	90°
β	93.464 ± 0.005°
γ	90°
Cell volume	393.41 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4337526.cif
106452	2014-03-15	cif/ Adding structures of 4337526, 4337527 via cif-deposit CGI script.	4337526.cif