Crystallography Open Database

Information card for entry 7112877

Preview

Coordinates	7112877.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((4,4'- bipyridine)bis(carbamoylcyanonitrosomethanido)copper(ii))
Chemical name	[(4,4'-bipyridine)bis(carbamoylcyanonitrosomethanido)copper(II)]
Formula	C16 H12 Cu N8 O4
Calculated formula	C16 H12 Cu N8 O4
Title of publication	Transformation of a 1D to 3D coordination polymer mediated by low temperature lattice solvent loss.
Authors of publication	Chesman, Anthony S. R.; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4899 - 4901
a	7.8075 ± 0.0003 Å
b	7.8075 ± 0.0003 Å
c	29.146 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1776.7 ± 0.2 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112877.cif
112138	2014-04-29	cif/ Adding structures of 7112877, 7112878 via cif-deposit CGI script.	7112877.cif