Information card for entry 7711456

Structure parameters

• Formula: C38 H30 Cr Cu2 N7 O21
• Calculated formula: C38 H30 Cr Cu2 N7 O21
• 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: 10.867 ± 0.0005 Å
• b: 8.6697 ± 0.0003 Å
• c: 23.7339 ± 0.0009 Å
• α: 90°
• β: 96.663 ± 0.004°
• γ: 90°
• Cell volume: 2220.95 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No