Crystallography Open Database

Information card for entry 4311232

Preview

Coordinates	4311232.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Me2bpb)Ru(NO)(py)](BF4)
Formula	C25 H21 B F4 N6 O3 Ru
Calculated formula	C25 H21 B F4 N6 O3 Ru
SMILES	[Ru]123(N(c4c(N1C(=O)c1[n]3cccc1)cc(c(c4)C)C)C(=O)c1[n]2cccc1)([n]1ccccc1)N=O.[B](F)(F)(F)[F-]
Title of publication	Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release
Authors of publication	Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4487 - 4495
a	8.894 ± 0.002 Å
b	10.969 ± 0.003 Å
c	12.991 ± 0.003 Å
α	97.56 ± 0.007°
β	97.412 ± 0.012°
γ	97.951 ± 0.007°
Cell volume	1230.2 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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 all reflections	0.0609
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179151 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12.	4311232.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311232.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311232.cif
2727	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311232 via cif-deposit CGI script.	4311232.cif