Crystallography Open Database

Information card for entry 7220706

7220705 << 7220706 >> 7220707

Preview

Coordinates	7220706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O2 Sn
Calculated formula	C23 H21 N3 O2 Sn
SMILES	C1(O[Sn]2(c3ccccc3)(c3ccccc3)[N](=C(C=C(C)O2)C)N=1)c1ccncc1
Title of publication	Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity
Authors of publication	Yadav, Shipra; Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Arjmand, Farukh; Tabassum, Sartaj
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	63
Pages of publication	50673
a	9.0499 ± 0.0005 Å
b	22.576 ± 0.004 Å
c	10.339 ± 0.002 Å
α	90°
β	95.574 ± 0.003°
γ	90°
Cell volume	2102.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0502
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220706.cif
138983	2015-06-09	cif/ Adding structures of 7220706 via cif-deposit CGI script.	7220706.cif