Crystallography Open Database

Information card for entry 7057247

Preview

Coordinates	7057247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.92 H30.72 Cl3 N4 O Ru S
Calculated formula	C14 H24 Cl3 N4 O Ru S
Title of publication	Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study
Authors of publication	Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	6858
a	18.0029 ± 0.0003 Å
b	18.0029 ± 0.0003 Å
c	26.178 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8484.4 ± 0.2 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	7
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
230434 (current)	2019-11-17	cif/ Updating files of 7057246, 7057247, 7057248, 7057249 Original log message: Adding full bibliography for 7057246--7057249.cif.	7057247.cif
207257	2018-04-07	cif/ Adding structures of 7057246, 7057247, 7057248, 7057249 via cif-deposit CGI script.	7057247.cif