Information card for entry 4314365

Structure parameters

• Formula: C16 H19 N O5 Ru
• Calculated formula: C16 H19 N O5 Ru
• SMILES: [Ru]123([NH]=c4c(=[O]1)cccc4)([O]=C(C=C(O2)C)C)OC(=CC(=[O]3)C)C
• Title of publication: Separating Innocence and Non-Innocence of Ligands and Metals in Complexes [(L)Ru(acac)2]n (n= -1, 0, +1; L = o-Iminoquinone or o-Iminothioquinone)
• Authors of publication: Srikanta Patra; Biprajit Sarkar; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6469 - 6473
• a: 8.545 ± 0.0005 Å
• b: 15.271 ± 0.0013 Å
• c: 12.816 ± 0.001 Å
• α: 90 ± 0.007°
• β: 90.883 ± 0.006°
• γ: 90 ± 0.007°
• Cell volume: 1672.2 ± 0.2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No