Information card for entry 7719876

Structure parameters

• Chemical name: 13junb
• Formula: C106 H98 B2 Cl8 Cu2 F8 N6 P4
• Calculated formula: C102 H90 B2 Cu2 F8 N6 P4
• 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: 13.501 ± 0.001 Å
• b: 15.611 ± 0.0011 Å
• c: 25.256 ± 0.002 Å
• α: 101.962 ± 0.003°
• β: 103.969 ± 0.002°
• γ: 98.689 ± 0.002°
• Cell volume: 4938.8 ± 0.6 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: 0.0719
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No