Information card for entry 7234598

Structure parameters

• Formula: C21 H31 Cl Cu2 N6 O5 S2
• Calculated formula: C20.9976 H30.9936 Cl Cu2 N6 O5 S2
• Title of publication: Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand
• Authors of publication: Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 16.35 ± 0.002 Å
• b: 22.735 ± 0.004 Å
• c: 9.2574 ± 0.0013 Å
• α: 90°
• β: 124.421 ± 0.004°
• γ: 90°
• Cell volume: 2838.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No