Information card for entry 7102616

Structure parameters

• Formula: C48 H53 Cl4 Cu4 N10 O29.5
• Calculated formula: C48 H42 Cl4 Cu4 N10 O29.5
• Title of publication: A new tetrameric CuII cluster with square topology exhibiting ferro- and antiferromagnetic magnetic pathways : which is which?
• Authors of publication: Ray, Mau Sinha; Ghosh, Ashutosh; Das, Ansuman; Drew, Michael G B; Ribas-Arino, Jordi; Novoa, Juan; Ribas, Joan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1102 - 1103
• a: 11.275 ± 0.016 Å
• b: 14.52 ± 0.016 Å
• c: 20.52 ± 0.02 Å
• α: 86.969 ± 0.01°
• β: 77.615 ± 0.01°
• γ: 73.435 ± 0.01°
• Cell volume: 3145 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1669
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No