Information card for entry 7059784

Structure parameters

• Formula: C24 H30 Cl Cu N5 O10 Se
• Calculated formula: C24 H16 Cl Cu N5 O3 Se
• Title of publication: Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study
• Authors of publication: Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13195 - 13206
• a: 7.5617 ± 0.0002 Å
• b: 15.7974 ± 0.0003 Å
• c: 22.4261 ± 0.0007 Å
• α: 90°
• β: 91.725 ± 0.003°
• γ: 90°
• Cell volume: 2677.7 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No