Crystallography Open Database

Information card for entry 4337202

Preview

Coordinates	4337202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 Cl N7 O7 Ru
Calculated formula	C21 H29 Cl N7 O7 Ru
Title of publication	Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)](3,2,1+). The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.
Authors of publication	Codesido, Nicolás Osa; Weyhermüller, Thomas; Olabe, José A; Slep, Leonardo D.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	981 - 997
a	25.25 ± 0.009 Å
b	12.053 ± 0.004 Å
c	8.325 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2533.6 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.263
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
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337202.cif
106203	2014-03-15	cif/ Adding structures of 4337202 via cif-deposit CGI script.	4337202.cif