Information card for entry 4308786

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 ų
• 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 Fobs: No