Crystallography Open Database

Information card for entry 4325134

Preview

Coordinates	4325134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 Cl2 F6 N4 O P Ru
Calculated formula	C16 H21 Cl2 F6 N4 O P Ru
SMILES	[Ru]12(Cl)(Cl)(N=O)[N](CC)(CCc3[n]1cccc3)CCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm
Authors of publication	Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4713 - 4724
a	8.3476 ± 0.0005 Å
b	30.1065 ± 0.0014 Å
c	8.8442 ± 0.0005 Å
α	90°
β	110.582 ± 0.0005°
γ	90°
Cell volume	2080.8 ± 0.2 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.231
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.	4325134.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325134.cif
43587	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325134 via cif-deposit CGI script.	4325134.cif