Information card for entry 7710355

Structure parameters

• Common name: Cu(TE1EtOH)
• Chemical name: Copper(II) 2-(1,4,8,11-tetraazacyclotetradecan-1-yl)ethan-1-ol dichloride
• Formula: C12 H31 Cl2 Cu N4 O2.5
• Calculated formula: C12 H31 Cl2 Cu N4 O2.5
• Title of publication: Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration
• Authors of publication: AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.5231 ± 0.001 Å
• b: 9.0433 ± 0.0005 Å
• c: 23.9772 ± 0.0013 Å
• α: 90°
• β: 105.052 ± 0.002°
• γ: 90°
• Cell volume: 3669.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0475
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No