Information card for entry 7719871

Structure parameters

• Chemical name: 27octf
• Formula: C33 H30 Cl2 N3 P Zn
• Calculated formula: C33 H30 Cl2 N3 P Zn
• 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: 10.6154 ± 0.0009 Å
• b: 17.3832 ± 0.0015 Å
• c: 15.9872 ± 0.0016 Å
• α: 90°
• β: 90.263 ± 0.003°
• γ: 90°
• Cell volume: 2950.1 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No