Information card for entry 7719193

Structure parameters

• Formula: C39 H54 Cl Cu N4 O4
• Calculated formula: C39 H54 Cl Cu N4 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: 17.1688 ± 0.0009 Å
• b: 11.1127 ± 0.0005 Å
• c: 21.8455 ± 0.001 Å
• α: 90°
• β: 105.064 ± 0.002°
• γ: 90°
• Cell volume: 4024.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0974
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No