Information card for entry 7700024

Structure parameters

• Formula: C38 H50 Cl4 Cu3 N12 O22 S6
• Calculated formula: C38 H50 Cl4 Cu3 N12 O22 S6
• Title of publication: endo- versus exo-Cyclic coordination in copper complexes with methylthiazolylcarboxylate tacn derivatives.
• Authors of publication: Guillou, Amaury; Lima, Luís M P; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8740 - 8755
• a: 9.7341 ± 0.0006 Å
• b: 10.4174 ± 0.0007 Å
• c: 14.3026 ± 0.0008 Å
• α: 87.718 ± 0.005°
• β: 89.646 ± 0.005°
• γ: 80.05 ± 0.005°
• Cell volume: 1427.39 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No