Information card for entry 4332688

Structure parameters

• Formula: C39 H28 N9 O9 Ru
• Calculated formula: C39 H28 N9 O9 Ru
• SMILES: [Ru]1234(Oc5ccc(C)cc5N=[N]2c2ccc(N(=O)=O)cc2)Oc2ccc(C)cc2N=[N]3c2ccc(N(=O)=O)cc2c2c(N=[N]4c3c(O1)ccc(C)c3)ccc(N(=O)=O)c2
• Title of publication: Synthesis, Structure, and Electrochemical Properties of a Family of 2-(Arylazo)phenolate Complexes of Ruthenium with Unusual C−C Coupling and NN Cleavage
• Authors of publication: Halder, Sarmistha; Acharyya, Rama; Peng, Shie-Ming; Lee, Gene-Hsiang; Drew, Michael G. B.; Bhattacharya, Samaresh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9654 - 9663
• a: 15.0049 ± 0.0005 Å
• b: 10.0179 ± 0.0003 Å
• c: 24.9361 ± 0.0008 Å
• α: 90°
• β: 94.563 ± 0.0008°
• γ: 90°
• Cell volume: 3736.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No