Crystallography Open Database

Information card for entry 7001092

Preview

Coordinates	7001092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu F5 N4 Nb O3
Calculated formula	C20 H20 Cu F5 N4 Nb O3
Title of publication	Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions
Authors of publication	Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	17
Pages of publication	3280 - 3285
a	11.34 ± 0.004 Å
b	11.34 ± 0.004 Å
c	15.657 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2013.4 ± 1.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	0.589
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
179688 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/10.	7001092.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001092.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001092.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001092.cif