Crystallography Open Database

Information card for entry 2019216

2019215 << 2019216 >> 2019217

Preview

Coordinates	2019216.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)
Formula	C20 H24 Cu N10 O4 S2
Calculated formula	C20 H24 Cu N10 O4 S2
SMILES	[Cu]1([n]2c(nccc2)N=S([O-])(=O)c2ccc(N)cc2)([n]2c(nccc2)N1S(=O)(=O)c1ccc(N)cc1)([NH3])[NH3]
Title of publication	Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?
Authors of publication	Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1221 - 1224
a	13.662 ± 0.001 Å
b	12.6329 ± 0.001 Å
c	13.9651 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2410.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019216.cif
91121	2013-12-09	cif/ Adding structures of 2019216, 2019217 via cif-deposit CGI script.	2019216.cif