Crystallography Open Database

Information card for entry 4311230

Preview

Coordinates	4311230.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(bpb)Ru(NO)(Cl)]
Formula	C18 H12 Cl N5 O3 Ru
Calculated formula	C18 H12 Cl N5 O3 Ru
SMILES	[Ru]123(Cl)(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)N=O
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	10.2153 ± 0.0006 Å
b	12.3643 ± 0.0007 Å
c	13.8577 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1750.3 ± 0.18 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4311230.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311230.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311230.cif
2725	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311230 via cif-deposit CGI script.	4311230.cif