Crystallography Open Database

Information card for entry 7218574

Preview

Coordinates	7218574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N2 O6 Sn
Calculated formula	C29 H26 N2 O6 Sn
SMILES	[Sn](OC(=O)CCC(=O)Nc1cc(ccc1OC)N(=O)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA
Authors of publication	Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed
Journal of publication	RSC Adv.
Year of publication	2014
a	9.837 ± 0.004 Å
b	13.099 ± 0.005 Å
c	21.032 ± 0.008 Å
α	90°
β	77.875 ± 0.007°
γ	90°
Cell volume	2649.6 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218574.cif
125799	2014-10-24	cif/ Adding structures of 7218572, 7218573, 7218574 via cif-deposit CGI script.	7218574.cif