Information card for entry 4334688

Structure parameters

• Formula: C26 H34 Cl2 Cu N6 O11
• Calculated formula: C26 H34 Cl2 Cu N6 O11
• Title of publication: Monopicolinate-dipicolyl Derivative of Triazacyclononane for Stable Complexation of Cu2+ and 64Cu2+
• Authors of publication: Melissa Roger; Luís M. P. Lima; Mathieu Frindel; Carlos Platas-Iglesias; Jean-François Gestin; Rita Delgado; Véronique Patinec; Raphaël Tripier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5246 - 5259
• a: 8.5089 ± 0.0002 Å
• b: 22.84 ± 0.0018 Å
• c: 15.8525 ± 0.0003 Å
• α: 90°
• β: 90.901 ± 0.002°
• γ: 90°
• Cell volume: 3080.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No