Information card for entry 4329550

Structure parameters

• Formula: C34 H62 Cl2 Cu2 N10 O7
• Calculated formula: C34 H62 Cl2 Cu2 N10 O7
• Title of publication: Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation
• Authors of publication: Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6916 - 6927
• a: 32.746 ± 0.003 Å
• b: 8.0014 ± 0.0004 Å
• c: 17.6495 ± 0.0014 Å
• α: 90°
• β: 120.138 ± 0.011°
• γ: 90°
• Cell volume: 3999.3 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No