Information card for entry 4346411

Structure parameters

• Formula: C42 H35 Cl N10 O4 Ru
• Calculated formula: C42 H35 Cl N10 O4 Ru
• SMILES: [Ru]123([N](=NC(=NN1c1ccccc1)c1ccc(C)cc1)c1ccccc1)([n]1ccccc1N=[N]2c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Evidence for Bidirectional Noninnocent Behavior of a Formazanate Ligand in Ruthenium Complexes.
• Authors of publication: Mandal, Abhishek; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 8126 - 8135
• a: 14.021 ± 0.009 Å
• b: 18.008 ± 0.009 Å
• c: 16.026 ± 0.009 Å
• α: 90°
• β: 107.634 ± 0.011°
• γ: 90°
• Cell volume: 3856 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No