Crystallography Open Database

Information card for entry 4308579

Preview

Coordinates	4308579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Cu F10 N12 Nb2 O2
Calculated formula	C30 H38 Cu F10 N12 Nb2 O2
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	20.8745 ± 0.0008 Å
b	20.8745 ± 0.0008 Å
c	17.2929 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7535.3 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4308579.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308579.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308579.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).	4308579.cif