Crystallography Open Database

Information card for entry 4107062

Preview

Coordinates	4107062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 F12 N8 O P2 Ru
Calculated formula	C30 H26 F12 N7 O P2 Ru
SMILES	[Ru]123([N](Cc4n(=O)cccc4)(Cc4[n]1cccc4)Cc1[n]2cccc1)([n]1ccccc1c1[n]3cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates
Authors of publication	Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	17901 - 17911
a	19.373 ± 0.003 Å
b	8.8414 ± 0.0011 Å
c	21.969 ± 0.003 Å
α	90°
β	114.923 ± 0.0004°
γ	90°
Cell volume	3412.5 ± 0.8 Å³
Cell temperature	123.1 K
Number of distinct elements	7
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	0.0528
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	4107062.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107062.cif
54712	2012-04-29	cif/ Adding structures of 4107062 via cif-deposit CGI script.	4107062.cif