Crystallography Open Database

Information card for entry 4080664

Preview

Coordinates	4080664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H32 Cl4 N2 Ru Sn
Calculated formula	C19 H32 Cl4 N2 Ru Sn
SMILES	[Sn]([Cl][Ru]12345([n]6[nH]c(cc6C)C)([c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C)Cl)(Cl)(Cl)(C)C
Title of publication	A Chloro-Bridged Heterobimetallic (η6-Arene)ruthenium‒Organotin Complex as an Efficient Topoisomerase Iα Inhibitor
Authors of publication	Khan, Rais Ahmad; Asim, Ahmad; Kakkar, Rita; Gupta, Deepti; Bagchi, Vivek; Arjmand, Farukh; Tabassum, Sartaj
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2546
a	11.1083 ± 0.0014 Å
b	13.7513 ± 0.0017 Å
c	16.122 ± 0.002 Å
α	90°
β	93.539 ± 0.002°
γ	90°
Cell volume	2458 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
178695 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/06.	4080664.cif
87257	2013-07-14	cif/ Adding structures of 4080664 via cif-deposit CGI script.	4080664.cif