Information card for entry 4342947

Structure parameters

• Formula: C28 H21 Cl2 N7 O5 Ru
• Calculated formula: C28 H21 Cl2 N7 O5 Ru
• SMILES: [Ru]123(Cl)([O]=C4C(=[N]1c1ccccc1)c1cccc5cccc4c15)[n]1n(ccc1)C(n1[n]2ccc1)n1[n]3ccc1.Cl(=O)(=O)(=O)[O-]
• 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: 14.48414 ± 0.00014 Å
• b: 12.64471 ± 0.00011 Å
• c: 15.76167 ± 0.00015 Å
• α: 90°
• β: 92.8914 ± 0.0009°
• γ: 90°
• Cell volume: 2883.04 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No