Crystallography Open Database

Information card for entry 7216840

Preview

Coordinates	7216840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cu N6 O2
Calculated formula	C22 H16 Cu N6 O2
Title of publication	Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands
Authors of publication	Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6345
a	8.4693 ± 0.0006 Å
b	14.305 ± 0.001 Å
c	15.7364 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1906.5 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216840.cif
118220	2014-06-27	cif/ Adding structures of 7216839, 7216840, 7216841, 7216842, 7216843 via cif-deposit CGI script.	7216840.cif