Information card for entry 4342949

Structure parameters

• Formula: C38 H34 Cl6 N8 O6 Ru
• Calculated formula: C38 H34 Cl6 N8 O6 Ru
• SMILES: C12n3ccc[n]3[Ru]3([n]4cccn14)([n]1cccn21)([N](c1ccc(cc1)OC)=C1C(c2c4c1cccc4ccc2)=[N]3c1ccc(cc1)OC)Cl.Cl(=O)(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl
• 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: 11.7233 ± 0.0003 Å
• b: 17.25 ± 0.0004 Å
• c: 20.1702 ± 0.0005 Å
• α: 90°
• β: 94.826 ± 0.001°
• γ: 90°
• Cell volume: 4064.5 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No