Crystallography Open Database

Information card for entry 4308786

Preview

Coordinates	4308786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl N3 O8 Ru
Calculated formula	C20 H23 Cl N3 O8 Ru
SMILES	[Ru]123([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[n]1c(Nc2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects
Authors of publication	Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1571 - 1579
a	11.73 ± 0.002 Å
b	11.667 ± 0.002 Å
c	17.483 ± 0.004 Å
α	90°
β	92.37 ± 0.03°
γ	90°
Cell volume	2390.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1157
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.