Information card for entry 4342948

Structure parameters

• Formula: C39 H38 F12 N8 O4 P2 Ru
• Calculated formula: C39 H38 F12 N8 O4 P2 Ru
• SMILES: [Ru]123([OH2])([N](c4ccc(OC)cc4)=C4C(=[N]2c2ccc(OC)cc2)c2c5c4cccc5ccc2)[n]2n(ccc2)C(n2ccc[n]32)n2[n]1ccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Tunable Electrochemical and Catalytic Features of BIAN- and BIAO-Derived Ruthenium Complexes.
• Authors of publication: Hazari, Arijit Singha; Das, Ankita; Ray, Ritwika; Agarwala, Hemlata; Maji, Somnath; Mobin, Shaikh M.; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4998 - 5012
• a: 11.65 ± 0.002 Å
• b: 14.944 ± 0.003 Å
• c: 16.267 ± 0.003 Å
• α: 71.09 ± 0.03°
• β: 69.9 ± 0.03°
• γ: 72.02 ± 0.03°
• Cell volume: 2453.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No