Information card for entry 4332690

Structure parameters

• Formula: C37 H37 N5 O3 Ru
• Calculated formula: C37 H37 N5 O3 Ru
• SMILES: [Ru]123(Oc4ccc(C)cc4N=[N]1c1c(cccc1C)C)(Oc1ccc(C)cc1[N]2=Nc1c(cccc1C)C)Oc1ccc(C)cc1N3
• 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: 10.6497 ± 0.0002 Å
• b: 19.4497 ± 0.0005 Å
• c: 16.6027 ± 0.0005 Å
• α: 90°
• β: 106.357 ± 0.001°
• γ: 90°
• Cell volume: 3299.78 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No