Information card for entry 4342703

Structure parameters

• Formula: C40 H32 F6 N8 P Ru
• Calculated formula: C40 H32 F6 N8 P Ru
• SMILES: c1(ccccc1)N1c2ccccc2N([Ru]231([n]1ccccc1N=[N]2c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ancillary Ligand Control of Electronic Structure in o-Benzoquinonediimine-Ruthenium Complex Redox Series: Structures, Electron Paramagnetic Resonance (EPR), and Ultraviolet-Visible-Near-Infrared (UV-vis-NIR) Spectroelectrochemistry.
• Authors of publication: Das, Ankita; Ghosh, Prabir; Plebst, Sebastian; Schwederski, Brigitte; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3376 - 3386
• a: 13.8532 ± 0.0001 Å
• b: 13.8532 ± 0.0001 Å
• c: 37.6585 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7227.09 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No