Information card for entry 4346412

Structure parameters

• Formula: C40 H33 Cl N8 O4 Ru
• Calculated formula: C40 H33 Cl N8 O4 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]2cccc4)([N](=NC(=NN1c1ccccc1)c1ccc(cc1)C)c1ccccc1)[n]1ccccc1c1[n]3cccc1.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: 12.886 ± 0.006 Å
• b: 17.921 ± 0.008 Å
• c: 22.418 ± 0.011 Å
• α: 97.35 ± 0.02°
• β: 105.3 ± 0.03°
• γ: 109.36 ± 0.02°
• Cell volume: 4577 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No