Crystallography Open Database

Information card for entry 7112878

Preview

Coordinates	7112878.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((4,4'-bipyridine)bis(carbamoylcyanonitrosomethanide)copper (ii)).tetramethanol
Chemical name	[(4,4'-bipyridine)bis(carbamoylcyanonitrosomethanide)copper (II)].tetramethanol
Formula	C20 H28 Cu N8 O8
Calculated formula	C20 H28 Cu N8 O8
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	11.4025 ± 0.0003 Å
b	11.0978 ± 0.0003 Å
c	20.1842 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2554.16 ± 0.12 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7112878.cif
112138	2014-04-29	cif/ Adding structures of 7112877, 7112878 via cif-deposit CGI script.	7112878.cif