Crystallography Open Database

Information card for entry 4307132

Preview

Coordinates	4307132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl2 F3 N4 O4 Ru S
Calculated formula	C16 H11 Cl2 F3 N4 O4 Ru S
SMILES	[Ru]12(Cl)(Cl)(N=O)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Synthesis of Nitrosylruthenium Complexes Containing 2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with Acids
Authors of publication	Hirotaka Nagao; Keiji Enomoto; Yuuki Wakabayashi; Gen Komiya; Toshiyuki Hirano; Takao Oi
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1431 - 1439
a	8.0868 ± 0.0005 Å
b	9.2038 ± 0.0005 Å
c	27.511 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2047.6 ± 0.2 Å³
Cell temperature	298.1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307132.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307132.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307132.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307132.cif