Information card for entry 7710354

Structure parameters

• Common name: Zn(TMC-N-E), Zn(3Me-cyclam-N-EtOH)
• Chemical name: Zinc(II) N-triméhyl-N-ethanol-cyclam
• Formula: C15 H38 Cl4 N4 O3 Zn2
• Calculated formula: C15 H36 Cl4 N4 O3 Zn2
• 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: 14.919 ± 0.002 Å
• b: 17.057 ± 0.002 Å
• c: 19.439 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4946.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No