Information card for entry 7716794

Structure parameters

• Formula: C26 H40 Cl2 Cu2 N2 O12
• Calculated formula: C26 H40 Cl2 Cu2 N2 O12
• Title of publication: Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.
• Authors of publication: Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13638 - 13661
• a: 7.4656 ± 0.0004 Å
• b: 7.9965 ± 0.0004 Å
• c: 14.2307 ± 0.0005 Å
• α: 74.462 ± 0.004°
• β: 88.045 ± 0.004°
• γ: 71.119 ± 0.004°
• Cell volume: 773.17 ± 0.07 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0537
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No