Crystallography Open Database

Information card for entry 4325137

Preview

Coordinates	4325137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl F6 N4 O2 P Ru
Calculated formula	C16 H21 Cl F6 N4 O2 P Ru
SMILES	[Ru]12(Cl)(O)(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	8.7574 ± 0.0002 Å
b	12.0307 ± 0.0004 Å
c	19.8994 ± 0.0008 Å
α	90°
β	98.6112 ± 0.0005°
γ	90°
Cell volume	2072.92 ± 0.12 Å³
Cell temperature	93 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	0.0315
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	4325137.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325137.cif
43590	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325137 via cif-deposit CGI script.	4325137.cif