Information card for entry 7059676

Structure parameters

• Formula: C56 H44 Cl3 N3 O P2 Ru S
• Calculated formula: C55 H42 Cl N3 O P2 Ru S
• Title of publication: Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity
• Authors of publication: Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11022 - 11034
• a: 12.5638 ± 0.0007 Å
• b: 14.5528 ± 0.0008 Å
• c: 30.3087 ± 0.0016 Å
• α: 78.061 ± 0.002°
• β: 78.123 ± 0.002°
• γ: 67.43 ± 0.002°
• Cell volume: 4957.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.14 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0477
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No