Information card for entry 7711461

Structure parameters

• Formula: C57 H59 Cr2 Cu3 N9 O38
• Calculated formula: C57 H59 Cr2 Cu3 N9 O38
• 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: 15.2116 ± 0.0003 Å
• b: 22.3842 ± 0.0005 Å
• c: 20.5541 ± 0.0004 Å
• α: 90°
• β: 95.685 ± 0.002°
• γ: 90°
• Cell volume: 6964.2 ± 0.2 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: 0.1179
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.3047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No