Information card for entry 7234600

Structure parameters

• Formula: C23 H33 Cu2 N7 O S3
• Calculated formula: C23 H33 Cu2 N7 O S3
• 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: 25.2711 ± 0.001 Å
• b: 14.5525 ± 0.0006 Å
• c: 16.6199 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6112.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No