Information card for entry 1517008

Structure parameters

• Formula: C38 H46 Br4 Cu2 N7 O22 Sm
• Calculated formula: C38 H40 Br4 Cu2 N7 O22 Sm
• Title of publication: Propeller-like heterotrinuclear CuII-LnIII-CuII compounds - Physicochemical properties
• Authors of publication: Beata Cristovao; Barbara Miroslaw
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 50 - 57
• a: 16.923 ± 0.001 Å
• b: 14.041 ± 0.001 Å
• c: 21.722 ± 0.001 Å
• α: 90°
• β: 94.06 ± 0.01°
• γ: 90°
• Cell volume: 5148.5 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No