Information card for entry 7711460

Structure parameters

• Formula: C72 H76 Cr2 Cu4 N14 O47
• Calculated formula: C72 H76 Cr2 Cu4 N14 O47
• 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: 12.0956 ± 0.0016 Å
• b: 29.969 ± 0.004 Å
• c: 14.092 ± 0.003 Å
• α: 90°
• β: 114.742 ± 0.013°
• γ: 90°
• Cell volume: 4639.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1887
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No