Crystallography Open Database

Information card for entry 4335095

Preview

Coordinates	4335095.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Indazolium trans-(tetrachlorido-1-H-indazole-nitrosyl-ruthenate(III)) chloroform solvate
Formula	C15 H14 Cl7 N5 O Ru
Calculated formula	C15 H14 Cl7 N5 O Ru
SMILES	[Ru](Cl)(Cl)(Cl)(Cl)([n]1[nH]c2c(c1)cccc2)N=O.[nH]1[nH+]c2c(c1)cccc2.C(Cl)(Cl)Cl
Title of publication	Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles
Authors of publication	Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6273 - 6285
a	7.249 ± 0.0007 Å
b	11.4371 ± 0.0013 Å
c	14.1067 ± 0.0018 Å
α	68.991 ± 0.005°
β	89.138 ± 0.005°
γ	88.127 ± 0.004°
Cell volume	1091.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335095.cif
100999	2014-02-10	cif/ Adding structures of 4335095 via cif-deposit CGI script.	4335095.cif