Information card for entry 4329548

Structure parameters

• Formula: C15 H24 Cl Cu N5 O6
• Calculated formula: C15 H24 Cl Cu N5 O6
• 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: 8.0688 ± 0.0002 Å
• b: 9.5667 ± 0.0002 Å
• c: 12.2122 ± 0.0003 Å
• α: 96.883 ± 0.002°
• β: 96.8 ± 0.002°
• γ: 98.919 ± 0.002°
• Cell volume: 915.51 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No