Crystallography Open Database

Information card for entry 1564848

Preview

Coordinates	1564848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cu N4 O10 S2
Calculated formula	C17 H22 Cu N4 O10 S2
SMILES	C1(=O)c2ccccc2S(=O)(=O)N1[Cu]([N]#CN(C)C)([OH2])([OH2])N1C(=O)c2ccccc2S1(=O)=O.O.O
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	23.4161 ± 0.0003 Å
b	13.2985 ± 0.0001 Å
c	7.2391 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2254.25 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
269810 (current)	2021-10-07	cif/ Adding structures of 1564848 via cif-deposit CGI script.	1564848.cif