Information card for entry 4303917

Structure parameters

• Formula: C30 H39 N O5 Ru
• Calculated formula: C30 H39 N O5 Ru
• SMILES: [Ru]123(Oc4c(N3c3ccccc3)cc(cc4C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]2)C)C
• Title of publication: The Semiquinone-Ruthenium Combination as a Remarkably Invariant Feature in the Redox and Substitution Series [Ru(Q)n(acac)3-n]m, n= 1-3; m= (-2), -1, 0, +1, (+2); Q = 4,6-Di-tert-butyl-N-phenyl-o-iminobenzoquinone
• Authors of publication: Dipanwita Das; Atanu Kumar Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Stanislav Záliš; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11853 - 11864
• a: 8.8841 ± 0.001 Å
• b: 11.9536 ± 0.0007 Å
• c: 14.2928 ± 0.0007 Å
• α: 88.701 ± 0.004°
• β: 80.169 ± 0.006°
• γ: 79.386 ± 0.007°
• Cell volume: 1469.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No