Information card for entry 7234599

Structure parameters

• Formula: C16 H24 Cl3 Cu2 N7 O9
• Calculated formula: C16 H24 Cl3 Cu2 N7 O9
• 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: 8.68 ± 0.003 Å
• b: 31.891 ± 0.013 Å
• c: 9.216 ± 0.004 Å
• α: 90°
• β: 97.6 ± 0.005°
• γ: 90°
• Cell volume: 2528.7 ± 1.7 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: 0.0875
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No