Information card for entry 7050300

Structure parameters

• Formula: C39 H33 N6 O6 Ru
• Calculated formula: C39 H33 N6 O6 Ru
• SMILES: [Ru]123([n]4ccccc4C(=O)N1c1ccc(OC)cc1)([n]1ccccc1C(=O)N2c1ccc(OC)cc1)[n]1ccccc1C(=O)N3c1ccc(OC)cc1
• Title of publication: Synthesis, structure and electrochemical properties of a group of ruthenium(iii) complexes of N-(aryl)picolinamide
• Authors of publication: Das, Anindya; Peng, Shie-Ming; Lee, Gene-Hsiang; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 712
• a: 10.5172 ± 0.0005 Å
• b: 13.5574 ± 0.0006 Å
• c: 14.6025 ± 0.0007 Å
• α: 117.086 ± 0.001°
• β: 95.729 ± 0.001°
• γ: 103.286 ± 0.001°
• Cell volume: 1753.19 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No