Crystallography Open Database

Information card for entry 4325139

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Coordinates	4325139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cl2 N4 O Ru
Calculated formula	C16 H20 Cl2 N4 O Ru
SMILES	[Ru]123(Cl)(Cl)[N](=O)C(C[N]1(CC)CCc1[n]3cccc1)c1[n]2cccc1
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	8.8374 ± 0.0014 Å
b	14.573 ± 0.002 Å
c	13.523 ± 0.002 Å
α	90°
β	95.4396 ± 0.0005°
γ	90°
Cell volume	1733.7 ± 0.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0231
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4325139.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325139.cif
43592	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325139 via cif-deposit CGI script.	4325139.cif