Information card for entry 7022288

Structure parameters

• Formula: C22 H36 Co N4 O9
• Calculated formula: C22 H30 Co N4 O9
• Title of publication: Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.
• Authors of publication: Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2902 - 2912
• a: 9.042 ± 0.002 Å
• b: 8.632 ± 0.001 Å
• c: 16.028 ± 0.003 Å
• α: 90°
• β: 98.03 ± 0.02°
• γ: 90°
• Cell volume: 1238.7 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No