Crystallography Open Database

Information card for entry 4109353

Preview

Coordinates	4109353.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(Me~2~bpb)(NO)(OH)]^.^DMSO
Formula	C22 H23 N5 O5 Ru S
Calculated formula	C22 H23 N5 O5 Ru S
SMILES	[Ru]123(O)([n]4ccccc4C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3cccc1)C)C)N=O.S(=O)(C)C
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	9.6421 ± 0.0004 Å
b	10.2603 ± 0.0004 Å
c	12.2844 ± 0.0005 Å
α	75.43 ± 0.003°
β	75.3 ± 0.003°
γ	89.954 ± 0.003°
Cell volume	1135.14 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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 all reflections	0.0213
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4109353.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109353.cif
58119	2012-05-25	cif/ Adding structures of 4109353 via cif-deposit CGI script.	4109353.cif