Crystallography Open Database

Information card for entry 7033375

Preview

Coordinates	7033375.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrabutylammonium trans-[tetrachloridobis(1-ethylindazole)ruthenate]acetone solvate
Formula	C40 H68 Cl4 N5 O2 Ru
Calculated formula	C40 H68 Cl4 N5 O2 Ru
Title of publication	Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.
Authors of publication	Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	2
Pages of publication	659 - 668
a	12.352 ± 0.0017 Å
b	24.58 ± 0.002 Å
c	14.773 ± 0.002 Å
α	90°
β	102.934 ± 0.002°
γ	90°
Cell volume	4371.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1026
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033375.cif
130992	2015-02-04	cif/ Updating files of 7033373, 7033374, 7033375 Original log message: Adding full bibliography for 7033373--7033375.cif.	7033375.cif
128497	2014-12-10	cif/ Adding structures of 7033373, 7033374, 7033375 via cif-deposit CGI script.	7033375.cif