Crystallography Open Database

Information card for entry 1564216

Preview

Coordinates	1564216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 N3 O5
Calculated formula	C23 H31 N3 O5
SMILES	[O-]C(=O)c1ccccc1N/N=C1\C=CC(=O)c2ccccc12.[NH+](CC)(CC)CC.O.O
Title of publication	Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid
Authors of publication	Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119736
a	10.7854 ± 0.0003 Å
b	13.5964 ± 0.0003 Å
c	15.4929 ± 0.0003 Å
α	103.894 ± 0.002°
β	90.498 ± 0.002°
γ	91.519 ± 0.002°
Cell volume	2204.41 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
267641 (current)	2021-07-19	cif/ Adding structures of 1564215, 1564216, 1564217 via cif-deposit CGI script.	1564216.cif