Information card for entry 7061433

Structure parameters

• Formula: C136 H126 Cl8 N26 O39 Ru4
• Calculated formula: C136 H126 Cl8 N26 O39 Ru4
• Title of publication: Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes
• Authors of publication: Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 9098 - 9110
• a: 15.965 ± 0.003 Å
• b: 39.938 ± 0.007 Å
• c: 12.631 ± 0.002 Å
• α: 90°
• β: 107.142 ± 0.004°
• γ: 90°
• Cell volume: 7696 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1428
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No