Information card for entry 7719867

Structure parameters

• Chemical name: 23dece
• Formula: C56 H56 Cl5 N3 O P2 Ru
• Calculated formula: C56 H56 Cl5 N3 O P2 Ru
• Title of publication: Hemiparetic Koneramine NNP Ligand Comprising Strategic Hard and Soft Donors: Transition Metal Complexes, CS2 Activation and Therapeutic Potential
• Authors of publication: Yadav, Archana; Angamuthu, Raja; Butcher, R. J.; Singh, Ritika Gautam; Chaudhary, Kajal; Dewan, Sayari
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 19.123 ± 0.004 Å
• b: 13.942 ± 0.003 Å
• c: 20.518 ± 0.004 Å
• α: 90°
• β: 109.988 ± 0.006°
• γ: 90°
• Cell volume: 5140.9 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No