Information card for entry 7016098

Structure parameters

• Formula: C32 H40 Cu3 N2 O14 S4
• Calculated formula: C32 H40 Cu3 N2 O14 S4
• Title of publication: Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.
• Authors of publication: Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7946 - 7956
• a: 8.6404 ± 0.0002 Å
• b: 9.8779 ± 0.0003 Å
• c: 11.6636 ± 0.0002 Å
• α: 97.771 ± 0.001°
• β: 98.642 ± 0.001°
• γ: 94.085 ± 0.001°
• Cell volume: 970.87 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No