Crystallography Open Database

Information card for entry 4307623

Preview

Coordinates	4307623.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(PaPy3)Ru(NO)](BF4)2.CH3CN.0.25Et2O
Formula	C23 H25.5 B2 F8 N7 O2.25 Ru
Calculated formula	C23 H25.5 B2 F8 N7 O2.25 Ru
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	10.1081 ± 0.0012 Å
b	16.5739 ± 0.0018 Å
c	17.3238 ± 0.0019 Å
α	75.761 ± 0.004°
β	86.966 ± 0.004°
γ	84.073 ± 0.007°
Cell volume	2796.9 ± 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	0.0692
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307623.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307623.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307623.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307623.cif