Crystallography Open Database

Information card for entry 4325132

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Structure parameters

Formula	C22 H30 F12 N6 P2 Ru
Calculated formula	C22 H30 F12 N6 P2 Ru
SMILES	[Ru]12([N]#CC)([N]#CC)([N]#CC)[N](CC)(CCc3[n]1cccc3)CCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[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	12.5691 ± 0.0002 Å
b	13.1846 ± 0.0002 Å
c	18.6141 ± 0.0004 Å
α	86.411 ± 0.003°
β	83.31 ± 0.003°
γ	78.752 ± 0.003°
Cell volume	3002.33 ± 0.1 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4325132.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325132.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325132.cif
43585	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325132 via cif-deposit CGI script.	4325132.cif