Crystallography Open Database

Information card for entry 4308581

Preview

Coordinates	4308581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cu F5 N8 Nb O
Calculated formula	C20 H24 Cu F5 N8 Nb O
Title of publication	Examining the Out-of-Center Distortion in the [NbOF5]2- Anion
Authors of publication	Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	884 - 895
a	8.8224 ± 0.0014 Å
b	16.385 ± 0.003 Å
c	8.902 ± 0.0014 Å
α	90°
β	109.27 ± 0.002°
γ	90°
Cell volume	1214.7 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179123 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85.	4308581.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308581.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308581.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308581.cif