Information card for entry 7710357

Structure parameters

• Common name: Cu(3Me-Cyc-N-E)(ClO4)2
• Chemical name: Cu(TMC-N-E)(ClO4)2
• Formula: C15 H34 Cl2 Cu N4 O9
• Calculated formula: C15 H34 Cl2 Cu N4 O9
• 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: 15.2412 ± 0.0016 Å
• b: 14.7907 ± 0.0017 Å
• c: 10.0443 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2264.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No