Information card for entry 7049582

Structure parameters

• Formula: C63 H56 B4 Cl6 N8 O6 P2 Ru2 S16
• Calculated formula: C63 H56 B4 Cl5.5875 N8 O6 P2 Ru2 S16
• Title of publication: Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.
• Authors of publication: Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7413 - 7424
• a: 40.711 ± 0.002 Å
• b: 10.3815 ± 0.0005 Å
• c: 38.999 ± 0.003 Å
• α: 90°
• β: 102.745 ± 0.002°
• γ: 90°
• Cell volume: 16076.5 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1649
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No