Crystallography Open Database

Information card for entry 4307626

Preview

Coordinates	4307626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Py3P)Ru(Cl).CH3CN
Formula	C23 H22 Cl N6 O2 Ru
Calculated formula	C23 H22 Cl N6 O2 Ru
SMILES	[Ru]1234(Cl)[n]5ccccc5CCN1C(=O)c1[n]2c(ccc1)C(=O)N3CCc1[n]4cccc1.N#CC
Title of publication	Ruthenium Nitrosyls Derived from Polypyridine Ligands with Carboxamide or Imine Nitrogen Donor(s): Isoelectronic Complexes with Different NO Photolability
Authors of publication	Michael J. Rose; Apurba K. Patra; Eric A. Alcid; Marylin M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2328 - 2338
a	10.1334 ± 0.0012 Å
b	12.7761 ± 0.0015 Å
c	17.245 ± 0.002 Å
α	90°
β	94.899 ± 0.005°
γ	90°
Cell volume	2224.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179114 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/76.	4307626.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307626.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307626.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307626.cif