Crystallography Open Database

Information card for entry 4109352

Preview

Coordinates	4109352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 N6 O7 Ru
Calculated formula	C32 H24 N6 O7 Ru
SMILES	[Ru]123(Oc4ccc5N=C6C(Oc5c4)=CC(=O)C=C6)([n]4ccccc4C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3cccc1)C)C)N=O.O
Title of publication	Photosensitization via Dye Coordination: A New Strategy to Synthesize Metal Nitrosyls That Release NO under Visible Light
Authors of publication	Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5342 - 5343
a	10.0845 ± 0.0005 Å
b	10.7797 ± 0.0006 Å
c	15.0195 ± 0.0008 Å
α	76.057 ± 0.001°
β	71.396 ± 0.001°
γ	69.137 ± 0.001°
Cell volume	1430.94 ± 0.13 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109352.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109352.cif
58118	2012-05-25	cif/ Adding structures of 4109352 via cif-deposit CGI script.	4109352.cif