Crystallography Open Database

Information card for entry 1516936

Preview

Coordinates	1516936.cif

Structure parameters

Formula	C28 H23 Cl2 N O3 Sn
Calculated formula	C28 H23 Cl2 N O3 Sn
SMILES	[Sn](OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates
Authors of publication	Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	159 - 162
a	10.361 ± 0.003 Å
b	27.083 ± 0.005 Å
c	9.692 ± 0.002 Å
α	90°
β	97.902 ± 0.007°
γ	90°
Cell volume	2693.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516936.cif
119705	2014-07-08	cif/ Adding structures of 1516936 via cif-deposit CGI script.	1516936.cif