Crystallography Open Database

Information card for entry 4318247

Preview

Coordinates	4318247.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-tetrachloro-(imidazole)-nitrosyl-ruthenium(III) (imidazole-imidazolium)
Formula	C9 H13 Cl4 N7 O Ru
Calculated formula	C9 H13 Cl4 N7 O Ru
SMILES	[Ru](Cl)(Cl)(Cl)(Cl)(N=O)[n]1cc[nH]c1.[nH]1cc[nH+]c1.n1c[nH]cc1
Title of publication	Synthesis and Structural, Spectroscopic, and Electrochemical Characterization of New Ruthenium Dimethyl Sulfoxide Nitrosyls
Authors of publication	Barbara Serli; Ennio Zangrando; Elisabetta Iengo; Giovanni Mestroni; Lesley Yellowlees; Enzo Alessio
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4033 - 4043
a	10.464 ± 0.003 Å
b	11.259 ± 0.004 Å
c	16.095 ± 0.004 Å
α	90°
β	108.57 ± 0.02°
γ	90°
Cell volume	1797.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0448
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318247.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318247.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318247.cif
14625	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318247 via cif-deposit CGI script.	4318247.cif