Crystallography Open Database

Information card for entry 4342322

Preview

Coordinates	4342322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu F6 N8 P
Calculated formula	C20 H16 Cu F6 N8 P
SMILES	[Cu]12([n]3ccccc3N=[N]1c1ccccn1)[n]1ccccc1N=[N]2c1ccccn1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.
Authors of publication	Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1300 - 1313
a	7.3353 ± 0.0003 Å
b	12.3442 ± 0.0006 Å
c	12.7166 ± 0.0009 Å
α	100.635 ± 0.004°
β	92.653 ± 0.004°
γ	100.53 ± 0.004°
Cell volume	1108.81 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342322.cif
132794	2015-03-04	cif/ Updating files of 4342320, 4342321, 4342322 Original log message: Adding full bibliography for 4342320--4342322.cif.	4342322.cif
131144	2015-02-05	cif/ Adding structures of 4342320, 4342321, 4342322 via cif-deposit CGI script.	4342322.cif