Information card for entry 4308788

Structure parameters

• Formula: C30 H32 N6 O4 Ru
• Calculated formula: C30 H32 N6 O4 Ru
• SMILES: CC1=CC(C)=[O][Ru]2(O1)([n]1ccccc1Nc1ncccc1)([n]1ccccc1Nc1ncccc1)OC(=CC(C)=[O]2)C
• 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: 8.696 ± 0.0008 Å
• b: 9.383 ± 0.0007 Å
• c: 18.6479 ± 0.0009 Å
• α: 90°
• β: 107.954 ± 0.005°
• γ: 90°
• Cell volume: 1447.47 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No