Crystallography Open Database

Information card for entry 4107061

Preview

Coordinates	4107061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 F12 N8 O P2 Ru
Calculated formula	C28 H24 F12 N9 O P2 Ru
SMILES	[Ru]1234([O]=n5c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cccc5)[n]1cccnc1c1[n]4cccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
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	11.343 ± 0.002 Å
b	12.621 ± 0.003 Å
c	12.733 ± 0.003 Å
α	72.787 ± 0.006°
β	77.874 ± 0.006°
γ	74.914 ± 0.006°
Cell volume	1663.6 ± 0.6 Å³
Cell temperature	123.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4107061.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107061.cif
54711	2012-04-29	cif/ Adding structures of 4107061 via cif-deposit CGI script.	4107061.cif