Crystallography Open Database

Information card for entry 1564851

Preview

Coordinates	1564851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cu N4 O8 S2
Calculated formula	C17 H18 Cu N4 O8 S2
SMILES	C1(=O)c2ccccc2S(=O)(=O)N1[Cu]([N]#CN(C)C)([OH2])(N1C(=O)c2ccccc2S1(=O)=O)[OH2]
Title of publication	Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes
Authors of publication	Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.
Journal of publication	Inorganics
Year of publication	2021
Journal volume	9
Journal issue	9
Pages of publication	69
a	7.141 ± 0.0001 Å
b	23.8599 ± 0.0004 Å
c	12.48922 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	2127.96 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269813 (current)	2021-10-07	cif/ Adding structures of 1564851 via cif-deposit CGI script.	1564851.cif