Information card for entry 7719873

Structure parameters

• Chemical name: 1augb_0m
• Formula: C42 H41 Cl4 F6 N3 P2 Pd S
• Calculated formula: C41 H39 Cl2 F6 N3 P2 Pd S
• 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; Dewan, Sayari; Chaudhary, Kajal; Butcher, Ray J.; Singh, Ritika Gautam; Angamuthu, Raja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 17471 - 17478
• a: 9.4411 ± 0.0003 Å
• b: 13.4278 ± 0.0004 Å
• c: 17.6952 ± 0.0005 Å
• α: 83.854 ± 0.001°
• β: 76.261 ± 0.001°
• γ: 78.513 ± 0.001°
• Cell volume: 2131.23 ± 0.11 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0447
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0449
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No