Information card for entry 7719875

Structure parameters

• Formula: C67 H62 Cl7 Cu3 N6 P2
• Calculated formula: C66 H60 Cl5 Cu3 N6 P2
• 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: 15.946 ± 0.002 Å
• b: 22.473 ± 0.003 Å
• c: 20.544 ± 0.003 Å
• α: 90°
• β: 112.647 ± 0.003°
• γ: 90°
• Cell volume: 6794.4 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0869
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No