Information card for entry 7711458

Structure parameters

• Formula: C74 H72 Cr2 Cu4 N12 O42
• Calculated formula: C74 H72 Cr2 Cu4 N12 O42
• 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: 12.4229 ± 0.0003 Å
• b: 12.8035 ± 0.0003 Å
• c: 15.611 ± 0.0004 Å
• α: 99.777 ± 0.002°
• β: 110.631 ± 0.002°
• γ: 108.437 ± 0.002°
• Cell volume: 2090.98 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No