Information card for entry 4308789

Structure parameters

• Formula: C30 H32 N6 O4 Ru
• Calculated formula: C30 H32 N6 O4 Ru
• SMILES: C1(=CC(C)=[O][Ru]2([n]3ccccc3Nc3ncccc3)(O1)([n]1ccccc1Nc1ncccc1)[O]=C(C)C=C(C)O2)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: 11.243 ± 0.0015 Å
• b: 12.025 ± 0.0018 Å
• c: 21.839 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2952.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P c n n
• Hall space group symbol: -P 2ab 2c
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No