Information card for entry 7711455

Structure parameters

• Formula: C66 H68 Cl5 Cr Cu4 N12 O24
• Calculated formula: C66 H59.332 Cl5 Cr Cu4 N12 O20
• Title of publication: Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features
• Authors of publication: Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.7176 ± 0.0004 Å
• b: 15.2066 ± 0.0005 Å
• c: 20.0501 ± 0.0005 Å
• α: 81.878 ± 0.002°
• β: 78.234 ± 0.002°
• γ: 83.75 ± 0.003°
• Cell volume: 3745.1 ± 0.2 ų
• Cell temperature: 159.9 ± 0.3 K
• Ambient diffraction temperature: 159.9 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No