Information card for entry 7719866

Structure parameters

• Chemical name: 3febd
• Formula: C37 H44 Cl2 N3 O3 P Pd
• Calculated formula: C37 H40 Cl2 N3 O P Pd
• 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: 19.162 ± 0.004 Å
• b: 9.563 ± 0.002 Å
• c: 20.013 ± 0.005 Å
• α: 90°
• β: 101.933 ± 0.007°
• γ: 90°
• Cell volume: 3588.1 ± 1.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0462
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No