Information card for entry 7719197

Structure parameters

• Formula: C59 H45 Cl Cu N5 O4
• Calculated formula: C59 H45 Cl Cu N5 O4
• Title of publication: Ligand-driven redox transformations and catalytic activities of mononuclear copper complexes: structural and spectroscopic insights.
• Authors of publication: Rakshit, Soumen; Mitra, Jyotirmoy; Saha, Rajat; Maji, Ram Chandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13215 - 13227
• a: 13.4382 ± 0.0002 Å
• b: 13.946 ± 0.0002 Å
• c: 14.2335 ± 0.0002 Å
• α: 95.92 ± 0.001°
• β: 100.686 ± 0.001°
• γ: 113.085 ± 0.001°
• Cell volume: 2365.27 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No