Crystallography Open Database

Information card for entry 4311233

Preview

Coordinates	4311233.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Me2bqb)Ru(NO)Cl].DMF
Formula	C31 H27 Cl N6 O4 Ru
Calculated formula	C31 H27 Cl N6 O4 Ru
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	9.4257 ± 0.0007 Å
b	12.8471 ± 0.001 Å
c	12.8518 ± 0.001 Å
α	114.395 ± 0.002°
β	90.09 ± 0.002°
γ	91.813 ± 0.003°
Cell volume	1416.43 ± 0.19 Å³
Cell temperature	186 ± 2 K
Ambient diffraction temperature	186 ± 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	0.0412
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4311233.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311233.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311233.cif
2728	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311233 via cif-deposit CGI script.	4311233.cif