Information card for entry 4308787

Structure parameters

• Formula: C30 H32 Cl N6 O8 Ru
• Calculated formula: C30 H32 Cl N6 O8 Ru
• SMILES: CC1=[O][Ru]2([n]3ccccc3Nc3ncccc3)(OC(=CC(C)=[O]2)C)([n]2ccccc2Nc2ncccc2)OC(=C1)C.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: 26.668 ± 0.0017 Å
• b: 7.773 ± 0.003 Å
• c: 19.494 ± 0.004 Å
• α: 90 ± 0.017°
• β: 127.129 ± 0.019°
• γ: 90 ± 0.019°
• Cell volume: 3221.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No