Crystallography Open Database

Information card for entry 4345139

Preview

Coordinates	4345139.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Chlorido (1-benzyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]
Formula	C26 H27 Cl4 N3 Os
Calculated formula	C26 H27 Cl4 N3 Os
Title of publication	Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
Authors of publication	Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	528 - 541
a	9.6703 ± 0.0008 Å
b	25.854 ± 0.002 Å
c	10.9202 ± 0.0006 Å
α	90°
β	104.89 ± 0.002°
γ	90°
Cell volume	2638.5 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
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	0.0624
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
191271 (current)	2017-02-04	cif/ Adding structures of 4345135, 4345136, 4345137, 4345138, 4345139, 4345140, 4345141, 4345142, 4345143, 4345144 via cif-deposit CGI script.	4345139.cif