Crystallography Open Database

Information card for entry 4107060

Preview

Coordinates	4107060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 F12 N7 P2 Ru
Calculated formula	C30 H26 F12 N7 P2 Ru
SMILES	[Ru]123([N](Cc4ncccc4)(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	19.25 ± 0.08 Å
b	9.01 ± 0.04 Å
c	21.8 ± 0.09 Å
α	90°
β	115.04 ± 0.02°
γ	90°
Cell volume	3426 ± 3 Å³
Cell temperature	123.1 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	0.1016
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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.	4107060.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107060.cif
54710	2012-04-29	cif/ Adding structures of 4107060 via cif-deposit CGI script.	4107060.cif