Information card for entry 7719195

Structure parameters

• Formula: C46 H50 Cl2 Cu N6 O11
• Calculated formula: C46 H50 Cl2 Cu N6 O11
• 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: 11.74 ± 0.003 Å
• b: 13.786 ± 0.004 Å
• c: 16.024 ± 0.005 Å
• α: 73.061 ± 0.009°
• β: 81.023 ± 0.009°
• γ: 72.684 ± 0.009°
• Cell volume: 2361.7 ± 1.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 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: 0.178
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.3298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No